2025

Abebe W.M., J.F. Strube, L. Guo, N.R. Tallent, O. Bel, S.R. Spurgeon, and C.M. Doty, et al. 2025. "SAM-I-Am: Semantic Boosting for Zero-shot Atomic-Scale Electron Micrograph Segmentation." Computational Materials Science 246, no. _:Art. No. 113400. doi:10.1016/j.commatsci.2024.113400

Frazier W.E., L. Li, K. Choi, Y. Fu, Z. Xu, A. Soulami, and V.V. Joshi. 2025. "Investigating the Evolution of U-10Mo Fuel Foil Microstructures during Multi-Stage Hot Rolling using Coupled Potts Model-Finite Element Method Simulations." Journal of Nuclear Materials 603, no. _:Art. No. 155427. doi:10.1016/j.jnucmat.2024.155427

Mao Z., Y. Li, G. Park, B. Beeler, and S. Hu. 2025. "A Finite Difference Informed Random Walk Solver for Simulating Radiation Defect Evolution in Polycrystalline Structures with Strongly Inhomogeneous Diffusivity." Computational Materials Science 246, no. _:Art No. 113371. doi:10.1016/j.commatsci.2024.113371

Lei B., Y. Fu, J. Cadena, A. Saini, Y. Hu, J. Bao, and Z. Xu, et al. 2025. "Accelerating Computational Fluid Dynamics Simulation of Post-combustion Carbon Capture Modeling with MeshGraphNets." Frontiers in Artificial Intelligence 7, no. _:Art. No. 1441985. doi:10.3389/frai.2024.1441985

Mao Z., Y. Li, R.O. Montgomery, A. Grandjean, H. zur Loye, and S. Hu. 2025. "A Finite Difference informed Random Walker (FDiRW) solver for strongly inhomogeneous diffusion problems." Computational Materials Science 246, no. _:Art. No. 113474. doi:10.1016/j.commatsci.2024.113474

Chen Y., C. Zeng, Y. Fu, J. Bao, P. Gao, J.Q. Chen, and Z. Xu, et al. 2025. "A hybrid numerical and machine learning framework for evaluating the performance of a 780 cm2 aqueous organic redox flow battery." Journal of Power Sources 635, no. _:Art. No. 236470. doi:10.1016/j.jpowsour.2025.236470

Frazier W.E., Y. Fu, L. Li, and R. Devanathan. 2025. "Dynamic Data-Driven Multiscale Modeling for Predicting the Degradation of a 316L Stainless Steel Nuclear Cladding Material." Journal of Nuclear Materials 603, no. _:Art No. 155429. doi:10.1016/j.jnucmat.2024.155429

Singh R.K., Y. Fu, C. Zeng, J. Bao, and Z. Xu. 2025. "Countercurrent flow characteristics of next generation solvent in novel 3D printed columns for carbon capture." Chemical Engineering Journal 505C. doi:10.1016/j.cej.2025.159454

Wang Q., Y. Fu, E.A. Miller, D. Song, P.J. Brahana, A.J. Ritchhart, and Z. Xu, et al. 2025. "Selective Recovery of Critical Minerals from Simulated Electronic Wastes via Reaction-Diffusion Coupling." Journal of the American Chemical Society. doi:10.1002/cssc.202402372

Zong Y., D.A. Barajas-Solano, and A.M. Tartakovsky. 2025. "Randomized Physics-Informed Neural Networks for Bayesian Data Assimilation." Computer Methods in Applied Mechanics and Engineering 436:Art No. 117670. doi:10.1016/j.cma.2024.117670

Haag J.V., Y. Fu, W. Jiang, B.E. Matthews, M.J. Olszta, D.J. Edwards, and W. Setyawan. 2025. "Quantitative assessment of Ni and He ion irradiation damage in a tungsten heavy alloy under the simulated nuclear fusion environment." Scientific Reports. doi:10.1038/s41598-025-89532-w

Xu Z. 2025. "Cosmic quenching and scaling laws for the evolution of supermassive black holes and host galaxies." Monthly Notices of the Royal Astronomical Society 536, no. 4:3554 - 3587. PNNL-SA-206987. doi:10.1093/mnras/stae2766

Bohm Agostini N., C.G. Johnson, W.C. Cannon, and A. Tumeo. 2025. "ChemComp: A Compilation Framework for Computing with Chemical Reaction Networks." In Proceedings of the 30th Asia and South Pacific Design Automation Conference (ASPDAC 2025), January 20-23, 2025, Tokyo, Japan, 872 - 878. New York, New York:Association for Computing Machinery. doi:10.1145/3658617.3703315

Santis G.D., and S.S. Xantheas. 2025. "Extending Badger’s Rule I: The Relationship between Energy and Structure in Hydrogen Bonds." The Journal of Chemical Physics 162, no. 4:044106. doi:10.1063/5.0244238

Prange M.P., N. Govind, P. Stinis, E.S. Ilton, and A.A. Howard. 2025. "Toward a Machine Learning Approach to Interpreting X-ray Spectra of Trace Impurities by Converting XANES to EXAFS." Journal of Physical Chemistry 129, no. 1:346-355. doi:10.1021/acs.jpca.4c05612

Sattar N., H. Lu, M. Halappanavar, and F. Wang. 2025. "Exploring the Landscape of Distributed Graph Clustering on Leadership Supercomputers." 2024 IEEE International Conference on Big Data. doi:10.1109/BigData62323.2024.10825700

Perko J., and S.S. Xantheas. 2025. "Collision integrals within the Chapman-Enskog theory for a generalized Lennard-Jones potential." The Journal of Chemical Physics 162, no. 3:Art No. 34113. doi:10.1063/5.0244532

Ferracina F., B. Krishnamoorthy, M. Halappanavar, H. Shengwei, and V. Sathuvalli Rajakalyan. 2025. "Predictive Analytics of Selections of Russet Potatoes." Crop Science 65, no. 1:Art. No. e21432. doi:10.1002/csc2.21432

Ciesielski D.K., Y. Li, S. Hu, E. King, J.F. Corbey, and P. Stinis. 2025. "Deep operator network surrogate for phase-field modeling of metal grain growth during solidification." Computational Materials Science 246, no. _:Art. No. 113417. doi:10.1016/j.commatsci.2024.113417

Anderson L.N., C.T. Hoyt, J.D. Zucker, A.D. McNaughton, J.R. Teuton, K. Karis, and N.N. Arokium-Christian, et al. 2025. "Computational Tools and Data Integration to Accelerate Vaccine Development: Challenges, Opportunities, and Future Directions." Frontiers in Immunology 16, no. _:Art. No. 1502484. doi:10.3389/fimmu.2025.1502484

Kulkarni G.R., F. Mei, C. Sivaraman, J. Wang, J.E. Shilling, R.K. Newsom, and M. Christensen, et al. 2025. "Assessment of Extinction-, Satellite-, and Model-based Vertical Cloud Condensation Nuclei (CCN) Retrieval Methods Using Airborne CCN Measurements over the Southern Great Plains." Journal of Geophysical Research: Atmospheres 130, no. 6:e2024JD042565. doi:10.1029/2024JD042565

Howard A.A., S.H. Murphy, S. Ahmed, and P. Stinis. 2025. "Stacked networks improve physics-informed training: applications to neural networks and deep operator networks." Foundations of Data Science 7, no. 1:134-162. PNNL-SA-192288. doi:10.3934/fods.2024029

Sanderse B., P. Stinis, R. Maulik, and S. Ahmed. 2025. "Scientific machine learning for closure models in multiscale problems: A review." Foundations of Data Science 7, no. 1:298-337. doi:10.3934/fods.2024043

Barik R., W.B. Cappa, S.M. Ferdous, M. Minutoli, M. Halappanavar, and A. Kalyanaraman. 2025. "GreediRIS: Scalable Influence Maximization using Distributed Streaming Maximum Cover." Journal of Parallel and Distributed Computing 198:Art No. 105037. doi:10.1016/j.jpdc.2025.105037

Tan S., S.D. Reid, M. Nguyen, E. Anber, D. Foley, R.C. Shiery, and V. Shutthanandan, et al. 2025. "Graphene Oxide Sheet Size Influences the Ion Adsorption and Permeation Behavior of Laminate Membranes." Carbon 239. doi:10.1016/j.carbon.2025.120280

2024

Drgona J., A.R. Tuor, and D.L. Vrabie. 2024. "Learning Constrained Parametric Differentiable Predictive Control Policies With Guarantees." IEEE Transactions on Systems, Man, and Cybernetics: Systems 54, no. 6:3596 - 3607. doi:10.1109/TSMC.2024.3368026

Ashtari Esfahani A., S. Boser, N.G. Buzinsky, M.C. Carmona-Benitez, R. Cervantes, C. Claessens, and L. De Viveiros, et al. 2024. "Deep Learning Based Event Reconstruction for Cyclotron Radiation Emission Spectroscopy." Machine Learning: Science and Technology 5, no. 2:Art. No. 025026. doi:10.1088/2632-2153/ad3ee3

Aksoy S.G., I.D. Amburg, and S.J. Young. 2024. "Scalable Tensor Methods for Nonuniform Hypergraphs." SIAM Journal on Mathematics of Data Science 6, no. 2:481-503. doi:10.1137/23M1584472

Eslinger P.W., W.S. Rosenthal, R.S. Sarathi, B.T. Schrom, and E.L. McCann. 2024. "Comparison of Source-Location Algorithms for Atmospheric samplers." Journal of Environmental Radioactivity 273. doi:10.1016/j.jenvrad.2024.107384

Mao Z., X. Li, S. Hu, G. Gopalakrishnan, and A. Li. 2024. "A GPU accelerated mixed-precision Smoothed Particle Hydrodynamics framework with cell-based relative coordinate." Engineering Analysis with Boundary Elements 161. doi:10.1016/j.enganabound.2024.01.020

Jia H., C. Zeng, H. Lim, A. Simmons, Y. Zhang, M. Weber, and M.H. Engelhard, et al. 2024. "Important role of ion flux regulated by separators in lithium metal batteries." Advanced Materials 36, no. 19:Art No. 2311312. doi:10.1002/adma.202311312

Chen Y., J. Bao, R. Chen, B. Li, Y. Yang, L. Renteria, and D.J. Delgado Paredes, et al. 2024. "Quantifying streambed grain size, uncertainty, and hydrobiogeochemical parameters using machine learning model YOLO." Water Resources Research 60, no. 11:Art. No. e2023WR036456. doi:10.1029/2023WR036456

Zhang X., Z. Mao, F.W. Hilty, Y. Li, A. Grandjean, R. Montgomery, and H. zur Loye, et al. 2024. "Volumetric lattice Boltzmann method for pore-scale diffusion-advection process in geopolymer porous structures." Journal of Rock Mechanics and Geotechnical Engineering 16, no. 6:2126-2136. doi:10.1016/j.jrmge.2024.03.006

Li Y., Y. Shin, W. Kuang, and K.L. Simmons. 2024. "Phase field modeling of hydrogen release in nitrile-butadiene rubber composites after high-pressure hydrogen exposure." International Journal of Hydrogen Energy 59. doi:10.1016/j.ijhydene.2024.02.017

Bao J., X. Song, Y. Chen, Y. Fang, X. Lin, Z. Hou, and Z. Duan, et al. 2024. "On the Transferability of Residence Time Distributions in Two 10-km Long River Sections with Similar Hydromorphic Units." Journal of Hydrology 640. doi:10.1016/j.jhydrol.2024.131723

Cannon W.R., S.R. Britton, M. Banwarth-Kuhn, and M. Alber. 2024. "Probabilistic and Maximum Entropy Modeling of Chemical Reaction Systems: Characteristics and Comparisons to Mass Action Kinetic Models." Journal of Chemical Physics 160, no. 2024:214123. doi:10.1063/5.0180417

Yeung Y., D.A. Barajas-Solano, and A.M. Tartakovsky. 2024. "Gaussian process regression and conditional Karhunen-Loéve models for data assimilation in inverse problems." Journal of Computational Physics 502. doi:10.1016/j.jcp.2024.112788

Yeung Y., R. Tipireddy, D.A. Barajas-Solano, and A.M. Tartakovsky. 2024. "Conditional Korhunen-Loéve regression model with Basis Adaptation for high-dimensional problems: Uncertainty quantification and inverse modeling." Computer Methods in Applied Mechanics and Engineering 418, no. Part A:Art. No. 116487. doi:10.1016/j.cma.2023.116487

Mao Z., X. Zhang, Y. Li, V. Proust, A. Gossard, T. David, and R.O. Montgomery, et al. 2024. "Phase field-volumetric lattice Boltzmann model of ion uptake in porous nuclear waste form materials under continuous flow." Journal of Nuclear Materials 596. doi:10.1016/j.jnucmat.2024.155103

Xu Z. 2024. "On the statistical theory of self-gravitating collisionless dark matter flow: High order kinematic and dynamic relations." Physics of Fluids 36, no. 7:Art No. 75146. doi:10.1063/5.0215026

Proust V., A. Leybros, A. Gossard, T. David, Z. Mao, Y. Li, and S. Hu, et al. 2024. "Influence of porous aluminosilicate grain size materials in experimental and modelling Cs+ adsorption kinetics and wastewater column process." Journal of Water Process Engineering 66, no. _:Art No. 106066. doi:10.1016/j.jwpe.2024.106066

Zong Y., D.A. Barajas-Solano, and A.M. Tartakovsky. 2024. "Randomized physics-informed machine learning for uncertainty quantification in high-dimensional inverse problems." Journal of Computational Physics 519, no. _:Art. No. 113395. doi:10.1016/j.jcp.2024.113395

Feng R., A.V. Liyu, S. Kim, C. Zeng, C.C. Bracken, Y. Liang, and W. Wang. 2024. "Miniaturize the redox flow battery for Accelerated Materials Discovery and Development." Journal of the Electrochemical Society 171, no. 12:Art. No. 120532. doi:10.1149/1945-7111/ad9bef

Xu Z. 2024. "On the statistical theory of self-gravitating collisionless dark matter flow: Scale and redshift variation of velocity and density distributions." Physics of Fluids 36, no. 11:Art No. 117158. doi:10.1063/5.0236964

Wang D., B. Mitra, S. Nekkalapu, S. Datta, B. Mathew, R. Meyur, and H. Wang, et al. 2024. "Hy-DAT: A Tool to Address Hydropower Modeling Gaps Using Interdependency, Efficiency Curves, and Unit Dispatch Models." In IEEE Green Technologies Conference (GreenTech 2024), April 3-5, 2024, Springdale, AR, 91-95. Piscataway, New Jersey:IEEE. doi:10.1109/GreenTech58819.2024.10520554

Suetterlein J.D., S.J. Young, J.S. Firoz, J.B. Manzano Franco, N.R. Tallent, R.D. Friese, and K.J. Barker, et al. 2024. "HPC Network Simulation Tuning via Automatic Extraction of Hardware Parameters." 28th Annual IEEE High Performance Extreme Computing Virtual Conference. doi:10.1109/HPEC62836.2024.10938439

Munikoti S., B. Natarajan, and M. Halappanavar. 2024. "GraMeR: Graph Meta Reinforcement Learning for Multi-Objective Influence Maximization." Journal of Parallel and Distributed Computing 192. doi:10.1016/j.jpdc.2024.104900

Devulapally A., M. Halappanavar, A. Puri, V. Narayanan, and A. Marquez. 2024. "Using Isoefficiency as a Metric to Assess Disaggregated Memory Systems for High Performance Computing." MEMSYS 2024. doi: 10.1145/3695794.369581

Jain M., V.C. Amatya, A.A. Bleeker, S.S. Vasisht, J.T. Feo, K.E. Wolf, and G.D. Chiara, et al. 2024. "Predicting Curb Side Parking Availability for Commercial Vehicle Loading Zones." IEEE Transactions on Intelligent Transportation Systems 22. doi:10.1007/s13177-024-00420-5

Bylaska E.J., A.R. Panyala, N.P. Bauman, B. Peng, H. Pathak, D. Mejia-Rodriguez, and N. Govind, et al. 2024. "Electronic structure simulations in the cloud computing environment." The Journal of Chemical Physics 161, no. 15:Art. No. 150902. doi:10.1063/5.0226437

McNaughton A.D., G. Sankar Ramalaxmi, A. Kruel, C.R. Knutson, R.A. Varikoti, and N. Kumar. 2024. "CACTUS: Chemistry Agent Connecting Tool Usage to Science." ACS Omega 9, no. 46:46563–46573. doi:10.1021/acsomega.4c08408

Silva S., and M. Halappanavar. 2024. "Graph Characterization of Higher Order Structure in Atmospheric Chemical Reaction Mechanisms." Environmental Data Science. doi: 10.1017/eds.2024.30

Zhang Y., R. Nazaraliyev, S.B. Dutta, N. Abu-Ghazaleh, A. Marquez, and K.J. Barker. 2024. "Beyond the Bridge: Contention-Based Covert and Side Channel Attacks on Multi-GPU Interconnect." In International Symposium on Secure and Private Execution Environment Design (SEED), May 16-17, 2024, Orlando, FL, 35-36. Piscataway, New Jersey:IEEE. doi:10.1109/SEED61283.2024.00014

Swirydowicz K., J.S. Firoz, J.B. Manzano Franco, M. Halappanavar, S. Thomas, and K.J. Barker. 2024. "A Performance and Energy Study of GPU-Resident Preconditioners for Conjugate Gradient Solvers: In the Context of Existing and Novel Approaches." In IEEE 36th International Symposium on Computer Architecture and High Performance Computing (SBAC-PAD 2024), November 13-15, 2024, Hilo, HI, 70-80. Piscataway, New Jersey:IEEE. doi:10.1109/SBAC-PAD63648.2024.00015

Hoffman M.P., and S.S. Xantheas. 2024. "The many-body expansion for aqueous systems revisited: IV. Stabilization of halide-anion pairs in small water clusters." The Journal of Physical Chemistry- A 128, no. 46:9876–9892. doi:10.1021/acs.jpca.4c05427

Munikoti S., D. Agarwal, L. Das, M. Halappanavar, and B. Natarajan. 2024. "Challenges and Opportunities in Deep Reinforcement Learning with Graph Neural Networks: A Comprehensive review of Algorithms and Applications." IEEE Transactions on Neural Networks and Learning Systems 35, no. 11:15051 - 15071. doi:10.1109/TNNLS.2023.3283523

Roy A., L.R. Hubbard, N.R. Overman, K.R. Fiedler, D.B. Horangic, F.W. Hilty, and M.L. Taheri, et al. 2024. "Machine learning and molecular dynamics simulations aided insights into condensate ring formation in laser spot welding." Scientific Reports 14, no. _:Art. No. 30068. doi:10.1038/s41598-024-79755-8

Tzeli D., P. Golub, J. Brabec, M. Matousek, K. Pernal, L. Veis, and S. Raugei, et al. 2024. "Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2–,3–,4–, [Fe2S2(SCys)4]2–, [Fe2S2(S-p-tol)4]2–, and [Fe2S2(S-o-xyl)4]2– Complexes." Journal of Chemical Theory and Computation 20, no. 23:10406–10423. doi:10.1021/acs.jctc.4c00781

Jiang H., J. Zhu, B. Fang, K.J. Barker, C. Chen, R. Jin, and Q. Guan. 2024. "HAPPA: A Modular Platform for HPC Application Resilience   Analysis with LLMs Embedded." In Proceedings of the 43rd International Symposium on Reliable Distributed Systems (SRDS 2024), September 30-October 3, 2024, Charlotte, NC, 40-51. Piscataway, New Jersey:IEEE. doi:10.1109/SRDS64841.2024.00015

Oster M.R., I.D. Amburg, S. Chatterjee, D.A. Eisenberg, D.G. Thomas, F. Pan, and A.R. Ganguly. 2024. "A Tri-Level Optimization Model for Interdependent Infrastructure Network Resilience Against Compound Hazard Events." International Journal of Critical Infrastructure Protection 47, no. _:Art. No. 100723. doi:10.1016/j.ijcip.2024.100723

Shaw W.J., M.K. Kidder, S.R. Bare, M. Delferro, J.R. Morris, F. Toma, and S.D. Senanayake, et al. 2024. "A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy." Nature Reviews Chemistry 8, no. _:376-400. doi:10.1038/s41570-024-00587-1

Okura Y., G.D. Santis, K. Hirata, V.S. Melissas, S. Ishiuchi, M. Fujii, and S.S. Xantheas. 2024. "Switching of protonation sites in hydrated nicotine via a Grotthuss mechanism." Journal of the American Chemical Society 146, no. 5:3023–3030. PNNL-SA-186413. doi:10.1021/jacs.3c08922

Santis G.D., K.M. Herman, J.P. Heindel, and S.S. Xantheas. 2024. "Descriptors of Water Aggregation." Journal of Chemical Physics 160, no. 5:Art. No. 054306. doi:10.1063/5.0179815

Bel O., J.B. Manzano Franco, B. Mutlu, O. Subasi, C.L. Wright-Hamor, and K.J. Barker. 2024. "Cookie-Jar: Adaptive Re-configurable Framework for Wireless Network Infrastructures." In The International Conference for High Performance Computing, Networking, Storage, and Analysis. doi: 10.1145/3649153.3649190

Peng H., C. Ding, T. Geng, S. Choudhury, K.J. Barker, and A. Li. 2024. "Evaluating Emerging AI/ML Accelerators: IPU, RDU, and and NVIDIA/AMD GPUs." In Companion of the 15th ACM/SPEC International Conference on Performance Engineering (ICPE 2024), May 7-11, 2024, London, 14 - 20. New York, New York:Association for Computing Machinery. doi:10.1145/3629527.3651428

Fu Y., A.A. Howard, C. Zeng, Y. Chen, P. Gao, and P. Stinis. 2024. "Physics-Guided Continual Learning for Predicting Emerging Aqueous Organic Redox Flow Battery Material Performance." ACS Energy Letters 9, no. 6:2767-2774. doi:10.1021/acsenergylett.4c00493

Kim Y., A. Kahana, R. Yin, Y. Li, P. Stinis, G.E. Karniadakis, and P. Panda. 2024. "Rethinking Skip Connections in Spiking Neural Networks with Time-To-First-Spike Coding." Frontiers in Neuroscience 18, no. _:Art. No. 1346805. doi:10.3389/fnins.2024.1346805

Neff R.W., M.E. Zarch, M. Minutoli, M. Halappanavar, A. Tumeo, A. Kalyanaraman, and M. Becchi. 2024. "FuseIM: Fusing Probabilistic Traversals for Influence Maximization on Exascale Systems." In Proceedings of the 38th ACM International Conference on Supercomputing (ICS 2024), June 4-7, 2024, Kyoto, Japan, 38-49. New York, New York:Association for Computing Machinery.  doi:10.1145/3650200.3656621

Ferdous S.M., R.W. Neff, B. Peng, S.S. Shuvo, M. Minutoli, S. Mukherjee, and K. Kowalski, et al. 2024. "Picasso: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing." In IEEE International Parallel and Distributed Processing Symposium (IPDPS 2024), May 27-31. 2024, San Francisco, CA, 241-252. Piscataway, New Jersey:IEEE.  doi:10.1109/IPDPS57955.2024.00029

Suetterlein J.D., S.J. Young, J.S. Firoz, J.B. Manzano Franco, R.D. Friese, N.R. Tallent, and K.J. Barker, et al. 2024. "Automatic Extraction of Network Configurations for Realistic Simulation and Validation." In IEEE International Symposium on Performance Analysis of Systems and Software (ISPASS 2024) May 5-7, 2024, Indianapolis, IN, 310-312. Piscataway, New Jersey:IEEE. doi:10.1109/ISPASS61541.2024.00041

Bel O., B. Mutlu, J.B. Manzano Franco, C.L. Wright-Hamor, O. Subasi, and K.J. Barker. 2024. "Cookie-Jar: An Adaptive Re-configurable Framework for Wireless Network Infrastructures." In Proceedings of the 21st ACM International Conference on Computing Frontiers (CF 2024), May 7-9, 2024, Ischia, Italy, 189 - 198. New York, New York:Association for Computing Machinery. doi:10.1145/3649153.3649190

Helal H., J.S. Firoz, J.A. Bilbrey, H.W. Sprueill, K.M. Herman, M.M. Krell, and T. Murray, et al. 2024. "Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units." Journal of Chemical Information and Modeling 64, no. 5:1568–1580. doi:10.1021/acs.jcim.3c01312

Chen W., P. Gao, and P. Stinis. 2024. "Physics-informed machine learning of the correlation functions in bulk fluids." Physics of Fluids 36, no. 1:Art. No. 017133. doi:10.1063/5.0175065

Sattar N., H. Lu, F. Wang, and M. Halappanavar. 2024. "Distributed Multi-GPU Community Detection on Exascale Computing Platforms." In IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW 2024), May 27-31, 2024, San Francisco, CA, 815-824. Piscataway, New Jersey:IEEE. doi:10.1109/IPDPSW63119.2024.00147

Ferdous S.M., A. Pothen, and M. Halappanavar. 2024. "Streaming Matching and Edge Cover in Practice." In Proceedings of the 22nd International Symposium on Experimental Algorithms (SEA 2024), July 24-26, Vienna, Austria. Leibniz International Proceedings in Informatics (LIPIcs), 301, 12:1-12:22. doi:10.4230/LIPIcs.SEA.2024.12

Kim D., A.D. McNaughton, and N. Kumar. 2024. "Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody-Antigen Interactions." Bioengineering (Basel) 11, no. 2:Art. No. 185. doi:10.3390/bioengineering11020185

Das S., S.M. Ferdous, M. Halappanavar, E. Serra, and A. Pothen. 2024. "AGS-GNN: Attribute-guided Sampling for Graph Neural Networks." In KDD '24: Proceedings of the 30th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, August 25-29, 2024, Barcelona, Spain, 538 - 549. New York, New York:Association for Computing Machinery. doi:10.1145/3637528.3671940

Di Dio Lavore I., V.G. Castellana, J.T. Feo, and M. Santambrogio. 2024. "Exploring Architectural-Aware Affinity Policies in Modern HPC Runtimes." In Practice and Experience in Advanced Research Computing 2024: Human Powered Computing (PEARC 2024), July 21-25, 2024, Providence, RI, edited by S.T. Brown, B. von Oehsen, E. Adams and E Siegmann, Paper No. 45. New York, New York:Association for Computing Machinery. doi:10.1145/3626203.3670566

Ferdous S.M., B. Samineni, A. Pothen, M. Halappanavar, and B. Krishnamoorthy. 2024. "Semi-Streaming Algorithms for Weighted1 k-Disjoint Matchings." In The European Symposium on Algorithms (ESA). doi: 10.4230/LIPIcs.ESA.2024.53

Chen W., and P. Stinis. 2024. "Feature-adjacent multi-fidelity physics-informed machine learning for partial differential equations." Journal of Computational Physics 498. doi:10.1016/j.jcp.2023.112683

Mudunuru M., J.A. Ang, M. Halappanavar, S. Hammond, M. Gokhale, J. Hoe, and T. Krishna, et al. 2024. "Perspectives on AI Architectures and Co-design for Earth System Predictability." Artificial Intelligence for the Earth Systems 3, no. 1:e230029. doi:10.1175/AIES-D-23-0029.1

Yang Z., A.D. GAIDHANE, J. Drgona, V. Chandan, M. Halappanavar, F. Liu, and Y. Cao. 2024. "Physics-constrained graph modeling for building thermal dynamics." Energy and AI 16. doi:10.1016/j.egyai.2024.100346

Santis G.D., Y. Okura, K. Hirata, S. Ishiuchi, M. Fujii, and S.S. Xantheas. 2024. "Affinity of Nicotinoids to a Model Nicotinic Acetylcholine Receptor (nAChR) Binding Pocket in the Human Brain." Journal of Physical Chemistry B 128, no. 19:4577 - 4589. doi:10.1021/acs.jpcb.3c07919

Howard A.A., Y. Fu, and P. Stinis. 2024. "A multifidelity approach to continual learning for physical systems." Machine Learning: Science and Technology 5, no. 2:Art No. 25042. doi:10.1088/2632-2153/ad45b2

Menczer A., M. Van Damme, A. Rask, L. Huntington, J.R. Hammond, S.S. Xantheas, and M. Ganahl, et al. 2024. "Parallel implementation of the Density Matrix Renormalization Group method achieving a quarter petaFLOPS performance on a single DGX-H100 GPU node." Journal of Chemical Theory and Computation 20, no. 9:8397-8404. doi:10.1021/acs.jctc.4c00903

Okura Y., G.D. Santis, K. Hirata, S.S. Xantheas, M. Fujii, and S. Ishiuchi. 2024. "The gas phase protonation sites of six naturally occurring nicotinoids." The Journal of Physical Chemistry Letters 15, no. 27:6966–6973. doi:10.1021/acs.jpclett.4c01206

Breysse E., J.O. Kroll, L.N. Anderson, A.D. McNaughton, D. Herrera, Y. Oda, and A.J. Wilson, et al. 2024. "Profiling sorghum-microbe interactions with a specialized photoaffinity probe identifies key sorgoleone binders in Acinetobacter pittii." Applied Environmental Microbiology 90, no. 10:Art. No. e01026-24. doi:10.1128/aem.01026-24

Świrydowicz, K., Koukpaizan, N., Ribizel, T., Göbel, F., Abhyankar, S., Anzt, H., Peleš, S. (2024).  ”GPU-resident sparse direct linear solvers for alternating current optimal power flow analysis”, International Journal of Electrical Power and Energy Systems, 155 (-), -. DOI: 10.1016/j.ijepes.2023.109517

Cao, Q., Goswami, S., Tripura, T., Chakraborty, S., Karniadakis, G.E. (2024).  ”Deep neural operators can predict the real-time response of floating offshore structures under irregular waves”, Computers and Structures, 291 (-), -. DOI: 10.1016/j.compstruc.2023.107228

Yeung, Y.-H., Tipireddy, R., Barajas-Solano, D.A., Tartakovsky, A.M. (2024).  ”Conditional Karhunen–Loève regression model with Basis Adaptation for high-dimensional problems: Uncertainty quantification and inverse modeling”, Computer Methods in Applied Mechanics and Engineering, 418 (-), -.DOI: 10.1016/j.cma.2023.116487

2023

Chen, J.-A., Sung, H.-H., Shen, X., Tallent, N., Barker, K., Li, A. (2023).  ”Accelerating matrix-centric graph processing on GPUs through bit-level optimizations”, Journal of Parallel and Distributed Computing, 177 (-), 53-67. DOI: 10.1016/j.jpdc.2023.02.013

Tharzeen, A., Munikoti, S., Prakash, P., Kim, J., Natarajan, B. (2023).  ”A General Spatiotemporal Imputation Framework for Missing Sensor Data”, Proceedings - 2023 IEEE Conference on Artificial Intelligence, CAI 2023, - (-), 55-58. DOI: 10.1109/CAI54212.2023.00032

Leal, E., Wright-Hamor, C., Manzano, J., Multari, N., Barker, K., Manz, D., Ming, J. (2023).  ”Assessing Risk in High Performance Computing Attacks”, International Conference on Information Systems Security and Privacy, - (-), 793-803. DOI: 10.5220/0011900500003405

Sharma, H., Suetterlein, J.D., Lakshmiranganatha, S., Flynn, T., Vrabie, D., Sweeney, C., Ramakrishniah, V. (2023).  ”EXARL-PARS: Parallel Augmented Random Search Using Reinforcement Learning at Scale for Applications in Power Systems”, e-Energy 2023 Companion - Proceedings of the 14th ACM International Conference on Future Energy Systems, - (-), 134-139. DOI: 10.1145/3599733.3600261

Duffy, K., Gouhier, T.C., Ganguly, A.R. (2023).  ”Author Correction: Climate-mediated shifts in temperature fluctuations promote extinction risk (Nature Climate Change, (2022), 12, 11, (1037-1044), 10.1038/s41558-022-01490-7)”, Nature Climate Change, 13 (5), -. DOI: 10.1038/s41558-023-01649-w

Gao, P., Muller, S.E., Chun, J., Zhong, L., Kennedy, Z.C. (2023).  ”Effects of 2D filler on rheology of additive manufacturing polymers: Simulation and experiment on polyetherketoneketone-mica composites”, Polymer, 269 (-), -. DOI: 10.1016/j.polymer.2023.125722

Li, A., Stein, S., Krishnamoorthy, S., Ang, J. (2023).  ”QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation”, ACM Transactions on Quantum Computing, 4 (2), -. DOI: 10.1145/3550488

Zong, Y., He, Q., Tartakovsky, A.M. (2023).  ”Improved training of physics-informed neural networks for parabolic differential equations with sharply perturbed initial conditions”, Computer Methods in Applied Mechanics and Engineering, 414 (-), -. DOI: 10.1016/j.cma.2023.116125

Stein, S.A., Wiebe, N., Ding, Y., Ang, J., Li, A. (2023).  ”Q-BEEP: Quantum Bayesian Error Mitigation Employing Poisson Modeling over the Hamming Spectrum”, Proceedings - International Symposium on Computer Architecture, - (-), 102-114. DOI: 10.1145/3579371.3589043

Regev, S., Chiang, N.-Y., Darve, E., Petra, C.G., Saunders, M.A., Świrydowicz, K., Peleš, S. (2023).  ”HyKKT: a hybrid direct-iterative method for solving KKT linear systems”, Optimization Methods and Software, 38 (2), 332-355. DOI: 10.1080/10556788.2022.2124990

Koch, J., Chen, Z., Tuor, A., Drgona, J., Vrabie, D. (2023).  ”Structural inference of networked dynamical systems with universal differential equations”, Chaos, 33 (2), -. DOI: 10.1063/5.0109093

Tumeo, A. (2023).  ”Message from the Workshop and Special Session Chair”, Proceedings of the 20th ACM International Conference on Computing Frontiers 2023, CF 2023, - (-), -. DOI: 10.1145/3587135.3594557

Bauer, C.W., Davoudi, Z., Balantekin, A.B., Bhattacharya, T., Carena, M., De Jong, W.A., Draper, P., El-Khadra, A., Gemelke, N., Hanada, M., Kharzeev, D., Lamm, H., Li, Y.-Y., Liu, J., Lukin, M., Meurice, Y., Monroe, C., Nachman, B., Pagano, G., Preskill, J., Rinaldi, E., Roggero, A., Santiago, D.I., Savage, M.J., Siddiqi, I., Siopsis, G., Van Zanten, D., Wiebe, N., Yamauchi, Y., Yeter-Aydeniz, K., Zorzetti, S. (2023).  ”Quantum Simulation for High-Energy Physics”, PRX Quantum, 4 (2), -. DOI: 10.1103/PRXQuantum.4.027001

Mutlu, E., Panyala, A., Gawande, N., Bagusetty, A., Glabe, J., Kim, J., Kowalski, K., Bauman, N.P., Peng, B., Pathak, H., Brabec, J., Krishnamoorthy, S. (2023).  ”TAMM: Tensor algebra for many-body methods”, Journal of Chemical Physics, 159 (2), -. DOI: 10.1063/5.0142433

Khatir, M., Choudhary, N., Choudhury, S., Agarwal, K., Reddy, C.K. (2023).  ”A Unification Framework for Euclidean and Hyperbolic Graph Neural Networks”, IJCAI International Joint Conference on Artificial Intelligence, 2023- (-), 3875-3883. DOI: 10.24963/ijcai.2023/431

Neff, R., Minutoli, M., Tumeo, A., Becchi, M. (2023).  ”High-Level Synthesis of Irregular Applications: A Case Study on Influence Maximization”, Proceedings of the 20th ACM International Conference on Computing Frontiers 2023, CF 2023, - (-), 12-22. DOI: 10.1145/3587135.3592196

Xu, Y., Jia, H., Gao, P., Galvez-Aranda, D.E., Beltran, S.P., Cao, X., Le, P.M.L., Liu, J., Engelhard, M.H., Li, S., Ren, G., Seminario, J.M., Balbuena, P.B., Zhang, J.-G., Xu, W., Wang, C. (2023).  ”Direct in situ measurements of electrical properties of solid–electrolyte interphase on lithium metal anodes”, Nature Energy, - (-), -. DOI: 10.1038/s41560-023-01361-1

Haghi, P., Krska, W., Tan, C., Geng, T., Chen, P.H., Greenwood, C., Guo, A., Hines, T., Wu, C., Li, A., Skjellum, A., Herbordt, M. (2023).  ”FLASH: FPGA-Accelerated Smart Switches with GCN Case Study”, Proceedings of the International Conference on Supercomputing, - (-), 450-462. DOI: 10.1145/3577193.3593739

Herman, K.M., Stone, A.J., Xantheas, S.S. (2023).  ”Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model”, Journal of Chemical Theory and Computation, 19 (19), 6805-6815. DOI: 10.1021/acs.jctc.3c00575

Choudhury, S., Agarwal, K., Ham, C., Tamang, S. (2023).  ”MediSage: An AI Assistant for Healthcare via Composition of Neural-Symbolic Reasoning Operators”, ACM Web Conference 2023 - Companion of the World Wide Web Conference, WWW 2023, - (-), 258-261. DOI: 10.1145/3543873.3587361

Poudel, S., Black, G.D., Mukherjee, M., Reiman, A.P. (2023).  ”Multi-Objective Power Distribution Operations: Characterizing Conflict and System Volatility”, IEEE Access, 11 (-), 103881-103889. DOI: 10.1109/ACCESS.2023.3318267

Kamatar, A., Friese, R., Gioiosa, R. (2023).  ”A Task Based Approach for Co-Scheduling Ensemble Workloads on Heterogeneous Nodes”, 2023 IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2023, - (-), 6-15. DOI: 10.1109/IPDPSW59300.2023.00015

Scott, E.O., Coletti, M., Schuman, C.D., Kay, B., Kulkarni, S.R., Parsa, M., Gunaratne, C., De Jong, K.A. (2023).  ”Avoiding excess computation in asynchronous evolutionary algorithms”, Expert Systems, 40 (5), -. DOI: 10.1111/exsy.13100

Li, Y., Geng, T., Stein, S., Li, A., Yu, H. (2023).  ”GAAF: Searching Activation Functions for Binary Neural Networks Through Genetic Algorithm”, Tsinghua Science and Technology, 28 (1), 207-220. DOI: 10.26599/TST.2021.9010084

Jha, R.R., Poudel, S., Sharma, P., Dubey, A., Schneider, K.P. (2023).  ”Volt/VAR Optimization (VVO) Application on GridAPPS-D Platform”, IEEE Power and Energy Society General Meeting, 2023- (-), -. DOI: 10.1109/PESGM52003.2023.10252419

Mukhopadhyay, P., Wiebe, N., Zhang, H.T. (2023).  ”Synthesizing efficient circuits for Hamiltonian simulation”, npj Quantum Information, 9 (1), -. DOI: 10.1038/s41534-023-00697-6

Pan, Z., Sharma, A., Hu, J.Y.-C., Liu, Z., Li, A., Liu, H., Huang, M., Geng, T. (2023).  ”Ising-Traffic: Using Ising Machine Learning to Predict Traffic Congestion under Uncertainty”, Proceedings of the 37th AAAI Conference on Artificial Intelligence, AAAI 2023, 37 (-), 9354-9363. DOI: 10.1609/aaai.v37i8.26121

Chen, Y., Jin, Y., Hua, F., Hayes, A., Li, A., Shi, Y., Zhang, E.Z. (2023).  ”A Pulse Generation Framework with Augmented Program-aware Basis Gates and Criticality Analysis”, Proceedings - International Symposium on High-Performance Computer Architecture, 2023- (-), 773-786. DOI: 10.1109/HPCA56546.2023.10070990

Howard, A.A., Perego, M., Karniadakis, G.E., Stinis, P. (2023).  ”Multifidelity deep operator networks for data-driven and physics-informed problems”, Journal of Computational Physics, 493 (-), -. DOI: 10.1016/j.jcp.2023.112462

Herman, K.M., Xantheas, S.S. (2023).  ”An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing ab initio benchmark binding energies for water clusters n = 2-25”, Physical Chemistry Chemical Physics, 25 (10), 7120-7143. DOI: 10.1039/d2cp03241d

Smith, K.C., Crane, E., Wiebe, N., Girvin, S.M. (2023).  ”Deterministic Constant-Depth Preparation of the AKLT State on a Quantum Processor Using Fusion Measurements”, PRX Quantum, 4 (2), -. DOI: 10.1103/PRXQuantum.4.020315

Hixson, K.K., Fajardo, D.A., Devitt, N.P., Sena, J.A., Costa, M.A., Meng, Q., Boschiero, C., Zhao, P.X., Baack, E.J., Paurus, V.L., Davin, L.B., Lewis, N.G., Bell, C.J. (2023).  ”Annotated genome sequence of a fast-growing diploid clone of red alder (Alnus rubra Bong.)”, G3: Genes, Genomes, Genetics, 13 (6), -. DOI: 10.1093/g3journal/jkad060

de la Torre, L., Halappanavar, M. (2023).  ”Scaling Optimal Allocation of Cloud Resources Using Lagrange Relaxation”, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 14283 (-), 173-192. DOI: 10.1007/978-3-031-43943-8_9

Ahmed, S.E., San, O., Lakshmivarahan, S., Lewis, J.M. (2023).  ”On the dual advantage of placing observations through forward sensitivity analysis”, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 479 (2274), -. DOI: 10.1098/rspa.2022.0815

Ahmed, A., Sadanandan, S.K., Pandey, S., Basumallik, S., Srivastava, A.K., Wu, Y. (2023).  ”Event Analysis in Transmission Systems Using Spatial Temporal Graph Encoder Decoder (STGED)”, IEEE Transactions on Power Systems, 38 (6), 5329-5340. DOI: 10.1109/TPWRS.2022.3226209

Ganesh, M., Hawkins, S.C., Tartakovsky, A.M., Tipireddy, R. (2023).  ”A STOCHASTIC DOMAIN DECOMPOSITION AND POST-PROCESSING ALGORITHM FOR EPISTEMIC UNCERTAINTY QUANTIFICATION”, International Journal for Uncertainty Quantification, 13 (5), 1-22. DOI: 10.1615/Int.J.UncertaintyQuantification.2023045687

Munikoti, S., Agarwal, D., Das, L., Halappanavar, M., Natarajan, B. (2023).  ”Challenges and Opportunities in Deep Reinforcement Learning With Graph Neural Networks: A Comprehensive Review of Algorithms and Applications”, IEEE Transactions on Neural Networks and Learning Systems, - (-), 1-21. DOI: 10.1109/TNNLS.2023.3283523

Loaiza, I., Khah, A.M., Wiebe, N., Izmaylov, A.F. (2023).  ”Reducing molecular electronic Hamiltonian simulation cost for linear combination of unitaries approaches”, Quantum Science and Technology, 8 (3), -. DOI: 10.1088/2058-9565/acd577

Zheng, M., Peng, B., Wiebe, N., Li, A., Yang, X., Kowalski, K. (2023).  ”Quantum algorithms for generator coordinate methods”, Physical Review Research, 5 (2), -. DOI: 10.1103/PhysRevResearch.5.023200

Narayanan, N., Chen, Z., Fang, B., Li, G., Pattabiraman, K., Debardeleben, N. (2023).  ”Fault Injection for TensorFlow Applications”, IEEE Transactions on Dependable and Secure Computing, 20 (4), 2677-2695. DOI: 10.1109/TDSC.2022.3175930

Naqvi, S.A.R., Chandan, V., Bhattacharya, S., Luo, N., Kar, K., Sivaraman, C., Radhakrishnan, N. (2023).  ”Data-Driven Co-optimization of Energy Efficiency and Indoor Environmental Quality in Commercial Buildings”, e-Energy 2023 Companion - Proceedings of the 14th ACM International Conference on Future Energy Systems, - (-), 140-144. DOI: 10.1145/3599733.3600262

Nakayasu, E.S., Bramer, L.M., Ansong, C., Schepmoes, A.A., Fillmore, T.L., Gritsenko, M.A., Clauss, T.R., Gao, Y., Piehowski, P.D., Stanfill, B.A., Engel, D.W., Orton, D.J., Moore, R.J., Qian, W.-J., Sechi, S., Frohnert, B.I., Toppari, J., Ziegler, A.-G., Lernmark, Å., Hagopian, W., Akolkar, B., Smith, R.D., Rewers, M.J., Webb-Robertson, B.-J.M., Metz, T.O. (2023).  ”Plasma protein biomarkers predict the development of persistent autoantibodies and type 1 diabetes 6 months prior to the onset of autoimmunity”, Cell Reports Medicine, 4 (7), -. DOI: 10.1016/j.xcrm.2023.101093

Fu, Y., Singh, R.K., Feng, S., Liu, J., Xiao, J., Bao, J., Xu, Z., Lu, D. (2023).  ”Understanding of Low-Porosity Sulfur Electrode for High-Energy Lithium–Sulfur Batteries”, Advanced Energy Materials, 13 (13), -. DOI: 10.1002/aenm.202203386

Meuris, B., Qadeer, S., Stinis, P. (2023).  ”Machine-learning-based spectral methods for partial differential equations”, Scientific Reports, 13 (1), -. DOI: 10.1038/s41598-022-26602-3

Palmer, B.J., Almgren, A.S., Johnson, C.G.M., Myers, A.T., Cannon, W.R. (2023).  ”BMX: Biological modelling and interface exchange”, Scientific Reports, 13 (1), -. DOI: 10.1038/s41598-023-39150-1

Balusu, K., Choi, K.S., Das, H., Samanta, A., Upadhyay, P., Jana, S., Soulami, A. (2023).  ”On the Utility of the Thermal-Pseudo Mechanical Model’s Residual Stress Prediction Capability for the Development of Friction Stir Processing”, International Journal of Advanced Manufacturing Technology, 126 (3-4), 1775-1788. DOI: 10.1007/s00170-023-11199-2

Ashfaq, M., Johnson, N., Kucharski, F., Diffenbaugh, N.S., Abid, M.A., Horan, M.F., Singh, D., Mahajan, S., Ghosh, S., Ganguly, A.R., Evans, K.J., Islam, S. (2023).  ”The influence of natural variability on extreme monsoons in Pakistan”, npj Climate and Atmospheric Science, 6 (1), -. DOI: 10.1038/s41612-023-00462-8

Kohanpur, A.H., Saksena, S., Dey, S., Johnson, J.M., Riasi, M.S., Yeghiazarian, L., Tartakovsky, A.M. (2023).  ”Urban Flood Modeling: Uncertainty Quantification and Physics-Informed Gaussian Processes Regression Forecasting”, Water Resources Research, 59 (3), -. DOI: 10.1029/2022WR033939

Ashtari Esfahani, A., Böser, S., Buzinsky, N., Carmona-Benitez, M.C., Claessens, C., De Viveiros, L., Doe, P.J., Fertl, M., Formaggio, J.A., Gaison, J.K., Gladstone, L., Grando, M., Guigue, M., Hartse, J., Heeger, K.M., Huyan, X., Johnston, J., Jones, A.M., Kazkaz, K., Laroque, B.H., Li, M., Lindman, A., MacHado, E., Marsteller, A., Matthé, C., Mohiuddin, R., Monreal, B., Mueller, R., Nikkel, J.A., Novitski, E., Oblath, N.S., Peña, J.I., Pettus, W., Reimann, R., Robertson, R.G.H., Rosa De Jesús, D., Rybka, G., Saldaña, L., Schram, M., Slocum, P.L., Stachurska, J., Sun, Y.-H., Surukuchi, P.T., Tedeschi, J.R., Telles, A.B., Thomas, F., Thomas, M., Thorne, L.A., Thümmler, T., Tvrznikova, L., Van De Pontseele, W., Vandevender, B.A., Weintroub, J., Weiss, T.E., Wendler, T., Young, A., Zayas, E., Ziegler, A. (2023).  ”Tritium Beta Spectrum Measurement and Neutrino Mass Limit from Cyclotron Radiation Emission Spectroscopy”, Physical Review Letters, 131 (10), -. DOI: 10.1103/PhysRevLett.131.102502

Okemo, P.A., Njaci, I., Kim, Y.-M., McClure, R.S., Peterson, M.J., Beliaev, A.S., Hixson, K.K., Mundree, S., Williams, B. (2023).  ”Tripogon loliiformis tolerates rapid desiccation after metabolic and transcriptional priming during initial drying”, Scientific Reports, 13 (1), -. DOI: 10.1038/s41598-023-47456-3

Sun, W., Li, A., Geng, T., Stuijk, S., Corporaal, H. (2023).  ”Dissecting Tensor Cores via Microbenchmarks: Latency, Throughput and Numeric Behaviors”, IEEE Transactions on Parallel and Distributed Systems, 34 (1), 246-261. DOI: 10.1109/TPDS.2022.3217824

Wang, Y., Drgoňa, J., Zhang, J., Suryanarayana, K.S.N., Schram, M., Liu, F., Li, P. (2023).  ”AutoNF: Automated Architecture Optimization of Normalizing Flows with Unconstrained Continuous Relaxation Admitting Optimal Discrete Solution”, Proceedings of the 37th AAAI Conference on Artificial Intelligence, AAAI 2023, 37 (-), 10244-10252. DOI: 10.1609/aaai.v37i8.26220

Luo, Y., Tan, C., Agostini, N.B., Li, A., Tumeo, A., Dave, N., Geng, T. (2023).  ”ML-CGRA: An Integrated Compilation Framework to Enable Efficient Machine Learning Acceleration on CGRAs”, Proceedings - Design Automation Conference, 2023- (-), -. DOI: 10.1109/DAC56929.2023.10247873

Guo, L., Lofstead, J., Ren, J., Laguna, I., Kestor, G., Pouchard, L., Oryspayev, D., Jeon, H. (2023).  ”Understanding System Resilience for Converged Computing of Cloud, Edge, and HPC”, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 13999 (-), 221-233. DOI: 10.1007/978-3-031-40843-4_17

Thekdi, S., Tatar, U., Santos, J., Chatterjee, S. (2023).  ”Disaster risk and artificial intelligence: A framework to characterize conceptual synergies and future opportunities”, Risk Analysis, 43 (8), 1641-1656. DOI: 10.1111/risa.14038

Eswaran, S.C.D., Olarte, M.V., Rallo, R., Marrlett, L., Harper, J., Anderson, M., Shapiro, E., Kozyra, P., Starks, A. (2023).  ”HT Model: Using the Molecular Transformer for Predicting Hydrotreating Reactions”, Energy and Fuels, 37 (19), 14922-14935. DOI: 10.1021/acs.energyfuels.3c02224

Eschle, J., Gál, T., Giordano, M., Gras, P., Hegner, B., Heinrich, L., Hernandez Acosta, U., Kluth, S., Ling, J., Mato, P., Mikhasenko, M., Moreno Briceño, A., Pivarski, J., Samaras-Tsakiris, K., Schulz, O., Stewart, G.A., Strube, J., Vassilev, V. (2023).  ”Potential of the Julia Programming Language for High Energy Physics Computing”, Computing and Software for Big Science, 7 (1), -. DOI: 10.1007/s41781-023-00104-x

Feng, R., Chen, Y., Zhang, X., Rousseau, B.J.G., Gao, P., Chen, P., Mergelsberg, S.T., Zhong, L., Hollas, A., Liang, Y., Murugesan, V., Huang, Q., Walter, E., Hammes-Schiffer, S., Shao, Y., Wang, W. (2023).  ”Proton-regulated alcohol oxidation for high-capacity ketone-based flow battery anolyte”, Joule, 7 (7), 1609-1622. DOI: 10.1016/j.joule.2023.06.013

Burghardt, J., Bao, T., Tartakovsky, A., Xu, K., Darve, E. (2023).  ”Autonomous Inversion of In Situ Deformation Measurement Data for Injection-Induced Stress Change”, 57th US Rock Mechanics/Geomechanics Symposium, - (-), -. DOI: 10.56952/ARMA-2023-0773

Frazier, W.E., Kalia, K., Wang, C., Choi, K.S., Field, D.P., Hu, S., Soulami, A., Joshi, V.V. (2023).  ”An Integrated Simulation of Multiple-Pass U-10Mo Alloy Hot Rolling and Static Recrystallization”, Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, 54 (9), 3461-3475. DOI: 10.1007/s11661-023-07077-x

Chen, Y., Stein, S., Li, A., Huang, Z.H. (2023).  ”Is It Coming Soon to Power Systems: Quantum Computing and Its Early Exploration”, IEEE Power and Energy Society General Meeting, 2023- (-), -. DOI: 10.1109/PESGM52003.2023.10252721

Ang, J.A., Barker, K.J., Vrabie, D.L., Kestor, G. (2023).  ”Codesign for Extreme Heterogeneity: Integrating Custom Hardware With Commodity Computing Technology to Support Next-Generation HPC Converged Workloads”, IEEE Internet Computing, 27 (1), 7-14. DOI: 10.1109/MIC.2022.3217423

Kulkarni, S.S., Shin, Y., Choi, K.S., Simmons, K. (2023).  ”Investigation of desorption of hydrogen gas from polymer matrix using thermal desorption analysis and finite element modeling”, Polymer, 282 (-), -. DOI: 10.1016/j.polymer.2023.126182

Shee, A., Yeh, C.-N., Peng, B., Kowalski, K., Zgid, D. (2023).  ”Triple Excitations in Green’s Function Coupled Cluster Solver for Studies of Strongly Correlated Systems in the Framework of Self-Energy Embedding Theory”, Journal of Physical Chemistry Letters, 14 (9), 2416-2424. DOI: 10.1021/acs.jpclett.2c03616

Cortez, W.S., Vasisht, S., Tuor, A., Koch, J., Drgona, J., Vrabie, D. (2023).  ”Domain-aware Control-oriented Neural Models for Autonomous Underwater Vehicles”, IFAC-PapersOnLine, 56 (1), 228-233. DOI: 10.1016/j.ifacol.2023.02.039

Castellana, V.G., Agostini, N.B., Limaye, A., Amatya, V., Minutoli, M., Manzano, J., Tumeo, A., Curzel, S., Fiorito, M., Ferrandi, F. (2023).  ”Towards On-Chip Learning for Low Latency Reasoning with End-to-End Synthesis”, Proceedings of the Asia and South Pacific Design Automation Conference, ASP-DAC, - (-), 632-638. DOI: 10.1145/3566097.3568360

Nielson, F.F., Kay, B., Young, S.J., Colby, S.M., Renslow, R.S., Metz, T.O. (2023).  ”Correction to: Similarity Downselection: Finding the n Most Dissimilar Molecular Conformers for Reference-Free Metabolomics (Metabolites, (2023), 13, 1, (105), 10.3390/metabo13010105)”, Metabolites, 13 (11), -. DOI: 10.3390/metabo13111158

Frazier, W.E., Li, L., Choi, K.S., Fu, Y., Xu, Z., Joshi, V.V., Soulami, A. (2023).  ”Microstructure-process relationships in monolithic U-10Mo fuel foil single-pass rolling: A parametric simulation study”, Journal of Nuclear Materials, 576 (-), -. DOI: 10.1016/j.jnucmat.2023.154271

Guo, L., Kestor, G. (2023).  ”On Higher-performance Sparse Tensor Transposition”, 2023 IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2023, - (-), 697-701. DOI: 10.1109/IPDPSW59300.2023.00118

Ashfaq, M., Johnson, N., Kucharski, F., Diffenbaugh, N.S., Abid, M.A., Horan, M.F., Singh, D., Mahajan, S., Ghosh, S., Ganguly, A.R., Evans, K.J., Islam, S. (2023).  ”Author Correction: The influence of natural variability on extreme monsoons in Pakistan (npj Climate and Atmospheric Science, (2023), 6, 1, (148), 10.1038/s41612-023-00462-8)”, npj Climate and Atmospheric Science, 6 (1), -. DOI: 10.1038/s41612-023-00499-9

Finney, J.M., Choi, T.H., Huchmala, R.M., Heindel, J.P., Xantheas, S.S., Jordan, K.D., McCoy, A.B. (2023).  ”Isotope Effects in the Zundel-Eigen Isomerization of H+(H2O)6”, Journal of Physical Chemistry Letters, 14 (20), 4666-4672. DOI: 10.1021/acs.jpclett.3c00952

Zhang, J.-L., Mantry, S., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Gayoso, C.A., Bae, J., Bai, X., Baker, M.D., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bernauer, J.C., Bock, F., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Bylinkin, A., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Corrales Morales, Y., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., Cuevas, C., Cunningham, J., David, G., Dean, C.T., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., El Fassi, L., Emmert, A., Ent, R., Fanelli, C., Fatemi, R., Fegan, S., Finger, M., Frantz, J., Friedman, M., Friscic, I., Gangadharan, D., Gardner, S., Gates, K., Geurts, F., Gilman, R., Glazier, D., Glimos, E., Goto, Y., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Higinbotham, D.W., Hoballah, M., Horn, T., Hoghmrtsyan, A., Hsu, P.-H.J., Huang, J., Huber, G., Hutson, A., Hwang, K.Y., Hyde, C.E., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kay, S.J.D., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korover, I., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lajoie, J., Lawrence, D., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Li, W.B., Li, X., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Marchand, D., Marcisovsky, M., Markert, C., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Mkrtchyan, H., Monaghan, P., Montgomery, R., Morrison, D., Movsisyan, A., Munoz Camacho, C., Murray, M., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Nguyen, D., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., Osborn, J.D., O'Shaughnessy, C., Paganis, S., Papandreou, Z., Pate, S.F., Patel, M., Paus, C., Penman, G., Perdekamp, M.G., Perepelitsa, D.V., Periera da Costa, H., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Pybus, J.R., Rajput-Ghoshal, R., Rasson, J., Raue, B., Read, K.F., Røed, K., Reed, R., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roche, J., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santiesteban, N., Santos, R., Sarsour, M., Schambach, J., Schmidt, A., Schmidt, N., Schwarz, C., Schwiening, J., Seidl, R., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shimizu, S., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Steinberg, P., Stepanov, P., Stevens, J., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Tapia Araya, S., Tarafdar, S., Teodorescu, L., Thomas, D., Timmins, A., Tomasek, L., Trotta, N., Trotta, R., Tveter, T.S., Umaka, E., Usman, A., van Hecke, H.W., Van Hulse, C., Velkovska, J., Voutier, E., Wang, P.K., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zha, W., Zhang, J.-X., Zhang, Y., Zhao, Y.-X., Zheng, X., Zhuang, P. (2023).  ”Search for e→τ charged lepton flavor violation at the EIC with the ECCE detector”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1053 (-), -. DOI: 10.1016/j.nima.2023.168276

Srivastava, A., Das, H., Tamayo, D.R., Li, L., Pole, M., Gwalani, B., Soulami, A., dos Santos, J.F., Kappagantula, K.S., Reza‑E‑Rabby, M. (2023).  ”Correction to: Extent of interlocking and metallurgical bonding in friction riveting of aluminum alloy to steel (The International Journal of Advanced Manufacturing Technology, (2023), 128, 7-8, (2899-2911), 10.1007/s00170-023-12111-8)”, International Journal of Advanced Manufacturing Technology, 128 (7-8), -. DOI: 10.1007/s00170-023-12219-x

Soudbakhsh, D., Annaswamy, A.M., Wang, Y., Brunton, S.L., Gaudio, J., Hussain, H., Vrabie, D., Drgona, J., Filev, D. (2023).  ”Data-Driven Control: Theory and Applications”, Proceedings of the American Control Conference, 2023- (-), 1922-1939. DOI: 10.23919/ACC55779.2023.10156081

Pathak, H., Panyala, A., Peng, B., Bauman, N.P., Mutlu, E., Rehr, J.J., Vila, F.D., Kowalski, K. (2023).  ”Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green’s Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure”, Journal of Chemical Theory and Computation, 19 (8), 2248-2257. DOI: 10.1021/acs.jctc.3c00045

Kautz, D.J., Cao, X., Gao, P., Matthews, B.E., Xu, Y., Han, K.S., Omenya, F., Engelhard, M.H., Jia, H., Wang, C., Zhang, J.-G., Xu, W. (2023).  ”Designing Electrolytes With Controlled Solvation Structure for Fast-Charging Lithium-Ion Batteries”, Advanced Energy Materials, 13 (35), -. DOI: 10.1002/aenm.202301199

Fu, X., Tang, H., Liao, H., Huang, X., Xu, W., Meng, S., Zhang, W., Guo, L., Sato, K. (2023).  ”A High-dimensional Algorithm-Based Fault Tolerance Scheme”, 2023 IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2023, - (-), 326-330. DOI: 10.1109/IPDPSW59300.2023.00061

Nasim, W., Kulkarni, S.S., Soulami, A., Efe, M., Rohatgi, A. (2023).  ”Room Temperature Stamping of High-Strength Aluminum for Lightweight Structural Automotive Components”, Journal of Materials Engineering and Performance, - (-), -. DOI: 10.1007/s11665-023-08810-8

D'Ambra, P., Durastante, F., Ferdous, S.M., Filippone, S., Halappanavar, M., Pothen, A. (2023).  ”AMG Preconditioners based on Parallel Hybrid Coarsening and Multi-objective Graph Matching”, Proceedings - 2023 31st Euromicro International Conference on Parallel, Distributed and Network-Based Processing, PDP 2023, - (-), 59-67. DOI: 10.1109/PDP59025.2023.00017

Di Felice, R., Mayes, M.L., Richard, R.M., Williams-Young, D.B., Chan, G.K., de Jong, W.A., Govind, N., Head-Gordon, M., Hermes, M.R., Kowalski, K., Li, X., Lischka, H., Mueller, K.T., Mutlu, E., Niklasson, A.M.N., Pederson, M.R., Peng, B., Shepard, R., Valeev, E.F., van Schilfgaarde, M., Vlaisavljevich, B., Windus, T.L., Xantheas, S.S., Zhang, X., Zimmerman, P.M. (2023).  ”A Perspective on Sustainable Computational Chemistry Software Development and Integration”, Journal of Chemical Theory and Computation, 19 (20), 7056-7076. DOI: 10.1021/acs.jctc.3c00419

Zeng, C., Kim, S., Chen, Y., Fu, Y., Bao, J., Xu, Z., Wang, W. (2023).  ”In Situ Characterization of Kinetics, Mass Transfer, and Active Electrode Surface Area for Vanadium Redox Flow Batteries”, Journal of the Electrochemical Society, 170 (3), -. DOI: 10.1149/1945-7111/acbf7f

Nair, G.R., Suh, H.-S., Halappanavar, M., Liu, F., Seo, J.-S., Cao, Y. (2023).  ”FPGA Acceleration of GCN in Light of the Symmetry of Graph Adjacency Matrix”, Proceedings -Design, Automation and Test in Europe, DATE, 2023- (-), -. DOI: 10.23919/DATE56975.2023.10137076

Escobar, J., Silverstein, J., Ishrak, F., Li, L., Soulami, A., Li, S., Yu, A., Mathaudhu, S., Ortiz, A., Koch, C., Devaraj, A., Efe, M., Gwalani, B. (2023).  ”Microstructural evolution in shear-punch tests: A comparative study of pure Cu and Cu-Cr alloy”, Materials Science and Engineering: A, 886 (-), -. DOI: 10.1016/j.msea.2023.145715

Unsleber, J.P., Liu, H., Talirz, L., Weymuth, T., Mörchen, M., Grofe, A., Wecker, D., Stein, C.J., Panyala, A., Peng, B., Kowalski, K., Troyer, M., Reiher, M. (2023).  ”High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation”, Journal of Chemical Physics, 158 (8), -. DOI: 10.1063/5.0136526

Reiman, A.P., Poudel, S., Mukherjee, M., Anderson, A.A., Vasios, O., Slay, T.E., Black, G.D., Dubey, A., Ogle, J.P. (2023).  ”App Deconfliction: Orchestrating Distributed, Multi-Agent, Multi-Objective Operations for Power Systems”, IEEE Access, 11 (-), 40314-40327. DOI: 10.1109/ACCESS.2023.3269422

Seidl, R., Vladimirov, A., Pitonyak, D., Prokudin, A., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Gayoso, C.A., Bae, J., Bai, X., Baker, M.D., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bernauer, J.C., Bock, F., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Bylinkin, A., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Morales, Y.C., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., Cuevas, C., Cunningham, J., David, G., Dean, C.T., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., El Fassi, L., Emmert, A., Ent, R., Fanelli, C., Fatemi, R., Fegan, S., Finger, M., Frantz, J., Friedman, M., Friscic, I., Gangadharan, D., Gardner, S., Gates, K., Geurts, F., Gilman, R., Glazier, D., Glimos, E., Goto, Y., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Higinbotham, D.W., Hoballah, M., Horn, T., Hoghmrtsyan, A., Hsu, P.-H.J., Huang, J., Huber, G., Hutson, A., Hwang, K.Y., Hyde, C.E., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kay, S.J.D., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korover, I., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lajoie, J., Lawrence, D., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Li, W.B., Li, X., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Mantry, S., Marchand, D., Marcisovsky, M., Markert, C., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Monaghan, P., Montgomery, R., Morrison, D., Movsisyan, A., Mkrtchyan, H., Camacho, C.M., Murray, M., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Nguyen, D., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., Osborn, J.D., O'Shaughnessy, C., Paganis, S., Papandreou, Z., Pate, S.F., Patel, M., Paus, C., Penman, G., Perdekamp, M.G., Perepelitsa, D.V., da Costa, H.P., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Pybus, J.R., Rajput-Ghoshal, R., Rasson, J., Raue, B., Read, K.F., Røed, K., Reed, R., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roche, J., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santiesteban, N., Santos, R., Sarsour, M., Schambach, J., Schmidt, A., Schmidt, N., Schwarz, C., Schwiening, J., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shimizu, S., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Steinberg, P., Stepanov, P., Stevens, J., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Araya, S.T., Tarafdar, S., Teodorescu, L., Thomas, D., Timmins, A., Tomasek, L., Trotta, N., Trotta, R., Tveter, T.S., Umaka, E., Usman, A., van Hecke, H.W., Van Hulse, C., Velkovska, J., Voutier, E., Wang, P.K., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zha, W., Zhang, J.-L., Zhang, J.-X., Zhang, Y., Zhao, Y.-X., Zheng, X., Zhuang, P. (2023).  ”ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1049 (-), -. DOI: 10.1016/j.nima.2023.168017

Chen, J.-A., Sung, H.-H., Shen, X., Choudhury, S., Li, A. (2023).  ”BitGNN: Unleashing the Performance Potential of Binary Graph Neural Networks on GPUs”, Proceedings of the International Conference on Supercomputing, - (-), 264-276. DOI: 10.1145/3577193.3593725

He, Q., Perego, M., Howard, A.A., Karniadakis, G.E., Stinis, P. (2023).  ”A hybrid deep neural operator/finite element method for ice-sheet modeling”, Journal of Computational Physics, 492 (-), -. DOI: 10.1016/j.jcp.2023.112428

Chatterjee, S., Bhattacharya, A., Dutta, A., Rahman, A., Ramachandran, T., Chikkagoudar, S., Bharadwaj, R. (2023).  ”Collaboration and Negotiation”, Advances in Information Security, 87 (-), 229-251. DOI: 10.1007/978-3-031-29269-9_11

Bauman, N.P., Peng, B., Kowalski, K. (2023).  ”Coupled-cluster downfolding techniques: A review of existing applications in classical and quantum computing for chemical systems”, Advances in Quantum Chemistry, 87 (-), 141-166. DOI: 10.1016/bs.aiq.2023.03.006

Bock, F., Schmidt, N., Wang, P.K., Santiesteban, N., Horn, T., Huang, J., Lajoie, J., Munoz Camacho, C., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Ayerbe Gayoso, C., Bae, J., Bai, X., Baker, M.D., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bernauer, J.C., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Bylinkin, A., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Corrales Morales, Y., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., Cuevas, C., Cunningham, J., David, G., Dean, C.T., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., El Fassi, L., Emmert, A., Ent, R., Fanelli, C., Fatemi, R., Fegan, S., Finger, M., Frantz, J., Friedman, M., Friscic, I., Gangadharan, D., Gardner, S., Gates, K., Geurts, F., Gilman, R., Glazier, D., Glimos, E., Goto, Y., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Higinbotham, D.W., Hoballah, M., Hoghmrtsyan, A., Hsu, P.-H.J., Huber, G., Hutson, A., Hwang, K.Y., Hyde, C.E., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kay, S.J.D., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korover, I., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lawrence, D., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Li, W.B., Li, X., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Mantry, S., Marchand, D., Marcisovsky, M., Markert, C., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Monaghan, P., Montgomery, R., Morrison, D., Movsisyan, A., Mkrtchyan, H., Murray, M., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Nguyen, D., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., Osborn, J.D., O'Shaughnessy, C., Paganis, S., Papandreou, Z., Pate, S.F., Patel, M., Paus, C., Penman, G., Perdekamp, M.G., Perepelitsa, D.V., Periera da Costa, H., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Pybus, J.R., Rajput-Ghoshal, R., Rasson, J., Raue, B., Read, K.F., Røed, K., Reed, R., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roche, J., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santos, R., Sarsour, M., Schambach, J., Schmidt, A., Schwarz, C., Schwiening, J., Seidl, R., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shimizu, S., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Steinberg, P., Stepanov, P., Stevens, J., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Tapia Araya, S., Tarafdar, S., Teodorescu, L., Thomas, D., Timmins, A., Tomasek, L., Trotta, N., Trotta, R., Tveter, T.S., Umaka, E., Usman, A., van Hecke, H.W., Van Hulse, C., Velkovska, J., Voutier, E., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zha, W., Zhang, J.-L., Zhang, J.-X., Zhang, Y., Zhao, Y.-X., Zheng, X., Zhuang, P. (2023).  ”Design and simulated performance of calorimetry systems for the ECCE detector at the electron ion collider”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1055 (-), -. DOI: 10.1016/j.nima.2023.168464

Jiang, W., Kovarik, L., Kruska, K., Fu, Y., Hu, Z., Shao, L., Setyawan, W. (2023).  ”Behavior and properties of helium cavities in ductile-phase-toughened tungsten irradiated with He+ ions at an elevated temperature”, Materialia, 29 (-), -. DOI: 10.1016/j.mtla.2023.101789

Sarkar, D., Lee, H., Vant, J.W., Turilli, M., Vermaas, J.V., Jha, S., Singharoy, A. (2023).  ”Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting”, Journal of Chemical Information and Modeling, 63 (18), 5834-5846. DOI: 10.1021/acs.jcim.3c00350

Subasi, O., Manzano, J., Barker, K. (2023).  ”Denial of Service Attack Detection via Differential Analysis of Generalized Entropy Progressions”, Proceedings of the 2023 IEEE International Conference on Cyber Security and Resilience, CSR 2023, - (-), 219-226. DOI: 10.1109/CSR57506.2023.10224957

Mato, J., Willow, S.Y., Werhahn, J.C., Xantheas, S.S. (2023).  ”The Back Door to the Surface Hydrated Electron”, Journal of Physical Chemistry Letters, 14 (36), 8221-8226. DOI: 10.1021/acs.jpclett.3c01479

Bernauer, J.C., Dean, C.T., Fanelli, C., Huang, J., Kauder, K., Lawrence, D., Osborn, J.D., Paus, C., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Ayerbe Gayoso, C., Bae, J., Bai, X., Baker, M.D., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bock, F., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Bylinkin, A., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Corrales Morales, Y., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., Cuevas, C., Cunningham, J., David, G., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., El Fassi, L., Emmert, A., Ent, R., Fatemi, R., Fegan, S., Finger, M., Frantz, J., Friedman, M., Friscic, I., Gangadharan, D., Gardner, S., Gates, K., Geurts, F., Gilman, R., Glazier, D., Glimos, E., Goto, Y., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Higinbotham, D.W., Hoballah, M., Horn, T., Hoghmrtsyan, A., Hsu, P.-H.J., Huber, G., Hutson, A., Hwang, K.Y., Hyde, C., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kay, S.J.D., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korover, I., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lajoie, J., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Li, X., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Marchand, D., Marcisovsky, M., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Monaghan, P., Montgomery, R., Morrison, D., Movsisyan, A., Mkrtchyan, H., Munoz Camacho, C., Murray, M., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Nguyen, D., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., O'Shaughnessy, C., Paganis, S., Papandreou, Z., Pate, S.F., Patel, M., Penman, G., Perdekamp, M.G., Perepelitsa, D.V., Periera da Costa, H., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Pybus, J.R., Rajput-Ghoshal, R., Rasson, J., Raue, B., Read, K., Røed, K., Reed, R., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roche, J., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santiesteban, N., Santos, R., Sarsour, M., Schambach, J., Schmidt, A., Schmidt, N., Schwarz, C., Schwiening, J., Seidl, R., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shimizu, S., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Steinberg, P., Stepanov, P., Stevens, J., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Tapia Araya, S., Tarafdar, S., Teodorescu, L., Timmins, A., Tomasek, L., Trotta, N., Trotta, R., Tveter, T.S., Umaka, E., Usman, A., van Hecke, H.W., Van Hulse, C., Velkovska, J., Voutier, E., Wang, P.K., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zhang, J., Zhang, Y., Zhao, Y.X., Zheng, X., Zhuang, P. (2023).  ”Scientific computing plan for the ECCE detector at the Electron Ion Collider”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1047 (-), -. DOI: 10.1016/j.nima.2022.167859

Khatami, M.H., Mendes, U.C., Wiebe, N., Kim, P.M. (2023).  ”Gate-based quantum computing for protein design”, PLoS Computational Biology, 19 (4), -. DOI: 10.1371/journal.pcbi.1011033

Li, X., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Ayerbe Gayoso, C., Bae, J., Bai, X., Baker, M.D., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bernauer, J.C., Bock, F., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Bylinkin, A., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Corrales Morales, Y., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., Cuevas, C., Cunningham, J., David, G., Dean, C.T., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., El Fassi, L., Emmert, A., Ent, R., Fanelli, C., Fatemi, R., Fegan, S., Finger, M., Frantz, J., Friedman, M., Friscic, I., Gangadharan, D., Gardner, S., Gates, K., Geurts, F., Gilman, R., Glazier, D., Glimos, E., Goto, Y., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Higinbotham, D.W., Hoballah, M., Horn, T., Hoghmrtsyan, A., Hsu, P.-H.J., Huang, J., Huber, G., Hutson, A., Hwang, K.Y., Hyde, C.E., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kay, S.J.D., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korover, I., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lajoie, J., Lawrence, D., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Li, W.B., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Mantry, S., Marchand, D., Marcisovsky, M., Markert, C., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Monaghan, P., Montgomery, R., Morrison, D., Movsisyan, A., Mkrtchyan, H., Munoz Camacho, C., Murray, M., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Nguyen, D., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., Osborn, J.D., O'Shaughnessy, C., Paganis, S., Papandreou, Z., Pate, S.F., Patel, M., Paus, C., Penman, G., Perdekamp, M.G., Perepelitsa, D.V., Periera da Costa, H., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Pybus, J.R., Rajput-Ghoshal, R., Rasson, J., Raue, B., Read, K.F., Røed, K., Reed, R., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roche, J., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santiesteban, N., Santos, R., Sarsour, M., Schambach, J., Schmidt, A., Schmidt, N., Schwarz, C., Schwiening, J., Seidl, R., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shimizu, S., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Steinberg, P., Stepanov, P., Stevens, J., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Tapia Araya, S., Tarafdar, S., Teodorescu, L., Thomas, D., Timmins, A., Tomasek, L., Trotta, N., Trotta, R., Tveter, T.S., Umaka, E., Usman, A., van Hecke, H.W., Van Hulse, C., Velkovska, J., Voutier, E., Wang, P.K., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zha, W., Zhang, J.-L., Zhang, J.-X., Zhang, Y., Zhao, Y.-X., Zheng, X., Zhuang, P. (2023).  ”Exclusive J/ψ detection and physics with ECCE”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1048 (-), -. DOI: 10.1016/j.nima.2022.167956

Nettasinghe, B., Chatterjee, S., Tipireddy, R., Halappanavar, M. (2023).  ”Extending Conformal Prediction to Hidden Markov Models with Exact Validity via de Finetti's Theorem for Markov Chains”, Proceedings of Machine Learning Research, 202 (-), 25890-25903. https://proceedings.mlr.press/v202/nettasinghe23a.html

Swirydowicz, K., Koukpaizan, N., Abhyankar, S., Peles, S. (2023).  ”Towards Efficient Alternating Current Optimal Power Flow Analysis on Graphical Processing Units”, 2023 29th International Conference on Information, Communication and Automation Technologies, ICAT 2023 - Proceedings, - (-), -. DOI: 10.1109/ICAT57854.2023.10171317

Luzi, L., Marrero, C.O., Wynar, N., Baraniuk, R.G., Henry, M.J. (2023).  ”Evaluating generative networks using Gaussian mixtures of image features”, Proceedings - 2023 IEEE Winter Conference on Applications of Computer Vision, WACV 2023, - (-), 279-288. DOI: 10.1109/WACV56688.2023.00036

Kulkarni, S.S., Hale, F., Taufique, M.F.N., Soulami, A., Devanathan, R. (2023).  ”Investigation of Crashworthiness of Carbon Fiber-Based Electric Vehicle Battery Enclosure Using Finite Element Analysis”, Applied Composite Materials, 30 (6), 1689-1715. DOI: 10.1007/s10443-023-10146-4

Wang, D., Bao, J., Zamarripa-Perez, M.A., Paul, B., Chen, Y., Gao, P., Ma, T., Noring, A.A., Iyengar, A.K.S., Schwartz, D.T., Eggleton, E.E., He, Q., Liu, A., Marina, O.A., Koeppel, B., Xu, Z. (2023).  ”A coupled reinforcement learning and IDAES process modeling framework for automated conceptual design of energy and chemical systems”, Energy Advances, 2 (10), 1735-1751. DOI: 10.1039/d3ya00310h

Herman, K.M., Xantheas, S.S. (2023).  ”A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases”, Journal of Physical Chemistry Letters, 14 (4), 989-999. https://10.1021/acs.jpclett.2c03822

Zheng, M., Li, A., Terlaky, T., Yang, X. (2023).  ”A Bayesian Approach for Characterizing and Mitigating Gate and Measurement Errors”, ACM Transactions on Quantum Computing, 4 (2), -. DOI: 10.1145/3563397

Yang, Y., Xie, C., Liu, L., Leong, P.H.W., Song, S.L. (2023).  ”Efficient Radius Search for Adaptive Foveal Sizing Mechanism in Collaborative Foveated Rendering Framework”, IEEE Transactions on Mobile Computing, - (-), 1-13. DOI: 10.1109/TMC.2023.3277577

Rajput, A., Roggero, A., Wiebe, N. (2023).  ”Quantum error correction with gauge symmetries”, npj Quantum Information, 9 (1), -. DOI: 10.1038/s41534-023-00706-8

Khan, M.A., Tipireddy, R., Dattaguru, B., Kumar, S. (2023).  ”Stochastic modeling of functionally graded double lap adhesive joints”, Mechanics of Materials, 177 (-), -. DOI: 10.1016/j.mechmat.2022.104553

Zhao, X., Luo, Y., Liu, J., Liu, W., Rosso, K.M., Guo, X., Geng, T., Li, A., Zhang, X. (2023).  ”Machine Learning Automated Analysis of Enormous Synchrotron X-ray Diffraction Datasets”, Journal of Physical Chemistry C, 127 (30), 14830-14838. DOI: 10.1021/acs.jpcc.3c03572

Guan, Q., Fang, B. (2023).  ”Welcome Notes of QCCC 2023”, QCCC 2023 - Proceedings of the 2023 International Workshop on Quantum Classical Cooperative Computing, - (-), -. https://-

Baheri, B., Chaudhary, V., Li, A., Xu, S., Fang, B., Guan, Q. (2023).  ”Quantum Noise Mitigation: Introducing the Robust Quantum Circuit Scheduler for Enhanced Fidelity and Throughput”, QCCC 2023 - Proceedings of the 2023 International Workshop on Quantum Classical Cooperative Computing, - (-), 21-24. DOI: 10.1145/3588983.3596688

Ye, Y., Faulkner, C.A., Xu, R., Huang, S., Liu, Y., Vrabie, D.L., Zhang, J., Zuo, W. (2023).  ”System modeling for grid-interactive efficient building applications”, Journal of Building Engineering, 69 (-), -. DOI: 10.1016/j.jobe.2023.106148

Fu, Y., Bao, J., Zeng, C., Chen, Y., Xu, Z., Kim, S., Wang, W. (2023).  ”A three-dimensional pore-scale model for redox flow battery electrode design analysis”, Journal of Power Sources, 556 (-), -. DOI: 10.1016/j.jpowsour.2022.232329

Cortez, W.S., Verginis, C.K., Dimarogonas, D.V. (2023).  ”A Distributed, Event-Triggered, Adaptive Controller for Cooperative Manipulation with Rolling Contacts”, IEEE Transactions on Robotics, 39 (4), 3120-3133. DOI: 10.1109/TRO.2023.3268595

Jia, H., Kim, J.-M., Gao, P., Xu, Y., Engelhard, M.H., Matthews, B.E., Wang, C., Xu, W. (2023).  ”A Systematic Study on the Effects of Solvating Solvents and Additives in Localized High-Concentration Electrolytes over Electrochemical Performance of Lithium-Ion Batteries”, Angewandte Chemie - International Edition, 62 (17), -. DOI: 10.1002/anie.202218005

Milligan, B.K., Li, L., Komarasamy, M., Roosendaal, T., Soulami, A., Whalen, S. (2023).  ”Cladding and Butt-Joining Dissimilar Aluminum Alloys Simultaneously via Shear Assisted Processing and Extrusion”, JOM, 75 (8), 3033-3040. DOI: 10.1007/s11837-023-05855-x

Srivastava, A., Das, H., Tamayo, D.R., Li, L., Pole, M., Gwalani, B., Soulami, A., dos Santos, J.F., Kappagantula, K.S., Reza-E-Rabby, M. (2023).  ”Extent of interlocking and metallurgical bonding in friction riveting of aluminum alloy to steel”, International Journal of Advanced Manufacturing Technology, 128 (7-8), 2899-2911. DOI: 10.1007/s00170-023-12111-8

Li, X., Laguna, I., Fang, B., Swirydowicz, K., Li, A., Gopalakrishnan, G. (2023).  ”Design and Evaluation of GPU-FPX: A Low-Overhead tool for Floating-Point Exception Detection in NVIDIA GPUs”, HPDC 2023 - Proceedings of the 32nd International Symposium on High-Performance Parallel and Distributed Computing, - (-), 59-71. DOI: 10.1145/3588195.3592991

Ahmed, S.E., Stinis, P. (2023).  ”A multifidelity deep operator network approach to closure for multiscale systems”, Computer Methods in Applied Mechanics and Engineering, 414 (-), -. DOI: 10.1016/j.cma.2023.116161

Van Hulse, C., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Gayoso, C.A., Bae, J., Bai, X., Baker, M.D., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bernauer, J.C., Bock, F., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Bylinkin, A., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Morales, Y.C., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., C.Cuevas, Cunningham, J., David, G., Dean, C.T., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., Fassi, L.E., Emmert, A., Ent, R., Fanelli, C., Fatemi, R., Fegan, S., Finger, M., Frantz, J., Friedman, M., Friscic, I., Gangadharan, D., Gardner, S., Gates, K., Geurts, F., Gilman, R., Glazier, D., Glimos, E., Goto, Y., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Higinbotham, D.W., Hoballah, M., Horn, T., Hoghmrtsyan, A., Hsu, P.-H.J., Huang, J., Huber, G., Hutson, A., Hwang, K.Y., Hyde, C.E., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kay, S.J.D., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korover, I., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lajoie, J., Lawrence, D., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Li, W.B., Li, X., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Mantry, S., Marchand, D., Marcisovsky, M., Markert, C., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Mkrtchyan, H., Monaghan, P., Montgomery, R., Morrison, D., Movsisyan, A., Camacho, C.M., Murray, M., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Nguyen, D., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., Osborn, J.D., O'Shaughnessy, C., Paganis, S., Papandreou, Z., Pate, S.F., Patel, M., Paus, C., Penman, G., Perdekamp, M.G., Perepelitsa, D.V., Costa, H.P.D., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Pybus, J.R., Rajput-Ghoshal, R., Rasson, J., Read, K.F., Røed, K., Reed, R., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roche, J., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santiesteban, N., Santos, R., Sarsour, M., Schambach, J., Schmidt, A., Schmidt, N., Schwarz, C., Schwiening, J., Seidl, R., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shimizu, S., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Steinberg, P., Stepanov, P., Stevens, J., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Araya, S.T., Tarafdar, S., Teodorescu, L., Thomas, D., Timmins, A., Tomasek, L., Trotta, N., Trotta, R., Tveter, T.S., Umaka, E., Usman, A., Hecke, H.W.V., Velkovska, J., Voutier, E., Wang, P.K., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zha, W., Zhang, J.-L., Zhang, J.-X., Zhang, Y., Zhao, Y.-X., Zheng, X., Zhuang, P. (2023).  ”Evaluation of longitudinal double-spin asymmetry measurements in semi-inclusive deep-inelastic scattering from the proton for the ECCE detector design”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1056 (-), -. DOI: 10.1016/j.nima.2023.168563

Koziol, A., Yano, K., Schemer-Kohrn, A., Soulami, A., Joshi, V.V., Briggs, S.A., Kautz, E.J. (2023).  ”Microstructure and microchemistry changes at U-10Mo fuel/AA6061 cladding interfaces with varying hot isostatic pressing conditions”, Journal of Nuclear Materials, 585 (-), -. DOI: 10.1016/j.jnucmat.2023.154597

Oster, M.R., King, E., Bakker, C., Bhattacharya, A., Chatterjee, S., Pan, F. (2023).  ”Multi-level optimization with the koopman operator for data-driven, domain-aware, and dynamic system security”, Reliability Engineering and System Safety, 237 (-), -. DOI: 10.1016/j.ress.2023.109323

Myers, A., Joslyn, C., Kay, B., Purvine, E., Roek, G., Shapiro, M. (2023).  ”Topological Analysis of Temporal Hypergraphs”, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 13894 (-), 127-146. DOI: 10.1007/978-3-031-32296-9_9

Machovec, D., Siegel, H.J., Crowder, J.A., Pasricha, S., Maciejewski, A.A., Friese, R.D. (2023).  ”Surveillance mission scheduling with unmanned aerial vehicles in dynamic heterogeneous environments”, Journal of Supercomputing, 79 (12), 13864-13888. DOI: 10.1007/s11227-023-05225-z

Foster, B., Taneja, S., Manzano, J., Barker, K. (2023).  ”Evaluating Energy Efficiency of GPUs using Machine Learning Benchmarks”, 2023 IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2023, - (-), 42-50. DOI: 10.1109/IPDPSW59300.2023.00019

Bakker, C., Vasisht, S., Huang, S., Vrabie, D.L. (2023).  ”Sensor and Actuator Attacks on Hierarchical Control Systems with Domain-Aware Operator Theory∗”, 2023 Resilience Week, RWS 2023, - (-), -. DOI: 10.1109/RWS58133.2023.10284668

Abrahamsen, N., Tong, Y., Bao, N., Su, Y., Wiebe, N. (2023).  ”Entanglement area law for one-dimensional gauge theories and bosonic systems”, Physical Review A, 108 (4), -. DOI: 10.1103/PhysRevA.108.042422

Dong, W., Kestor, G., Li, D. (2023).  ”Auto-HPCnet: An Automatic Framework to Build Neural Network-based Surrogate for High-Performance Computing Applications”, HPDC 2023 - Proceedings of the 32nd International Symposium on High-Performance Parallel and Distributed Computing, - (-), 31-44. DOI: 10.1145/3588195.3592985

Li, S., Drgona, J., Abhyankar, S., Pileggi, L. (2023).  ”Power Grid Behavioral Patterns and Risks of Generalization in Applied Machine Learning”, e-Energy 2023 Companion - Proceedings of the 14th ACM International Conference on Future Energy Systems, - (-), 106-114. DOI: 10.1145/3599733.3600257

Cao, W., Wen, H., Xantheas, S.S., Wang, X.-B. (2023).  ”The primary gas phase hydration shell of hydroxide”, Science Advances, 9 (12), -. DOI: 10.1126/sciadv.adf4309

Feng, D., Tan, Z., He, Q. (2023).  ”Physics-Informed Neural Networks of the Saint-Venant Equations for Downscaling a Large-Scale River Model”, Water Resources Research, 59 (2), -. DOI: 10.1029/2022WR033168

Heindel, J.P., Herman, K.M., Xantheas, S.S. (2023).  ”Many-Body Effects in Aqueous Systems: Synergies Between Interaction Analysis Techniques and Force Field Development”, Annual Review of Physical Chemistry, 74 (-), 337-360. DOI: 10.1146/annurev-physchem-062422-023532

Kulkarni, S.S., Venkatraman, A., Senor, D.J., Devanathan, R. (2023).  ”A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy”, Computational Materials Science, 230 (-), -. DOI: 10.1016/j.commatsci.2023.112425

Kautz, E.J., Song, M., Riechers, S., Koziol, A., Briggs, S.A., Yano, K., Prabhakaran, R., Schemer-Kohrn, A., Soulami, A., Joshi, V.V., Devaraj, A. (2023).  ”Influence of processing on secondary phase formation and microstructural evolution at U-10Mo alloy and Zr interlayer interfaces”, Journal of Alloys and Compounds, 969 (-), -. DOI: 10.1016/j.jallcom.2023.172074

Guo, A., Hao, Y., Wu, C., Haghi, P., Pan, Z., Si, M., Tao, D., Li, A., Herbordt, M., Geng, T. (2023).  ”Software-Hardware Co-design of Heterogeneous SmartNIC System for Recommendation Models Inference and Training”, Proceedings of the International Conference on Supercomputing, - (-), 336-347. DOI: 10.1145/3577193.3593724

Jia, H., Yang, Z., Xu, Y., Gao, P., Zhong, L., Kautz, D.J., Wu, D., Fliegler, B., Engelhard, M.H., Matthews, B.E., Broekhuis, B., Cao, X., Fan, J., Wang, C., Lin, F., Xu, W. (2023).  ”Is Nonflammability of Electrolyte Overrated in the Overall Safety Performance of Lithium Ion Batteries? A Sobering Revelation from a Completely Nonflammable Electrolyte”, Advanced Energy Materials, 13 (4), -. DOI: 10.1002/aenm.202203144

Balusu, K., Das, H., Li, X., Roosendaal, T., Seffens, R., Soulami, A., Upadhyay, P. (2023).  ”The Role of Fracture Properties on Lap Joint Strength of Friction Stir Welded AA7055-T6 Sheets”, Minerals, Metals and Materials Series, - (-), 193-205. DOI: 10.1007/978-3-031-22661-8_18

Chen, Y., Bao, J., Xu, Z., Gao, P., Yan, L., Kim, S., Wang, W. (2023).  ”A hybrid analytical and numerical model for cross-over and performance decay in a unit cell vanadium redox flow battery”, Journal of Power Sources, 578 (-), -. https://www.doi.org/10.1016/j.jpowsour.2023.233210

Abhyankar, S., Drgoňa, J., Tuor, A., August, A. (2023).  ”Neuro-physical dynamic load modeling using differentiable parametric optimization”, IEEE Power and Energy Society General Meeting, 2023- (-), -. DOI: 10.1109/PESGM52003.2023.10253098

Faulkner, C.A., Lutes, R., Huang, S., Zuo, W., Vrabie, D. (2023).  ”Simulation-based assessment of ASHRAE Guideline 36, considering energy performance, indoor air quality, and control stability”, Building and Environment, 240 (-), -. DOI: 10.1016/j.buildenv.2023.110371

Zhang, B., Fang, B., Guan, Q., Li, A., Tao, D. (2023).  ”HQ-Sim: High-performance State Vector Simulation of Quantum Circuits on Heterogeneous HPC Systems”, QCCC 2023 - Proceedings of the 2023 International Workshop on Quantum Classical Cooperative Computing, - (-), 1-4. DOI: 10.1145/3588983.3596679

Mehendale, S.G., Peng, B., Govind, N., Alexeev, Y. (2023).  ”Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing”, Journal of Physical Chemistry A, 127 (20), 4526-4537. DOI: 10.1021/acs.jpca.3c00550

Du, Y., Chatterjee, S., Bhattacharya, A., Dutta, A., Halappanavar, M. (2023).  ”Role of reinforcement learning for risk-based robust control of cyber-physical energy systems”, Risk Analysis, 43 (11), 2280-2297. DOI: 10.1111/risa.14104

Liu, Y., Duffy, K., Dy, J.G., Ganguly, A.R. (2023).  ”Explainable deep learning for insights in El Niño and river flows”, Nature Communications, 14 (1), -. DOI: 10.1038/s41467-023-35968-5

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Kulkarni, S.S., Choi, K.S., Menon, N., Simmons, K. (2023).  ”A diffusion–deformation model with damage for polymer undergoing rapid decompression failure”, Journal of the Mechanics and Physics of Solids, 178 (-), -. DOI: 10.1016/j.jmps.2023.105348

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Ward, L., Pauloski, J.G., Hayot-Sasson, V., Chard, R., Babuji, Y., Sivaraman, G., Choudhury, S., Chard, K., Thakur, R., Foster, I. (2023).  ”Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources”, 2023 IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2023, - (-), 32-41. DOI: 10.1109/IPDPSW59300.2023.00018

Suri, N., Barreto, J., Hadfield, S., Wiebe, N., Wudarski, F., Marshall, J. (2023).  ”Two-Unitary Decomposition Algorithm and Open Quantum System Simulation”, Quantum, 7 (-), -. DOI: 10.22331/Q-2023-05-15-1002

Nghiem, T.X., Drgoňa, J., Jones, C., Nagy, Z., Schwan, R., Dey, B., Chakrabarty, A., Di Cairano, S., Paulson, J.A., Carron, A., Zeilinger, M.N., Shaw Cortez, W., Vrabie, D.L. (2023).  ”Physics-Informed Machine Learning for Modeling and Control of Dynamical Systems”, Proceedings of the American Control Conference, 2023- (-), 3735-3750. DOI: 10.23919/ACC55779.2023.10155901

Claudino, D., Peng, B., Kowalski, K., Humble, T.S. (2023).  ”Modeling Singlet Fission on a Quantum Computer”, Journal of Physical Chemistry Letters, 14 (24), 5511-5516. DOI: 10.1021/acs.jpclett.3c01106

Vernieri, C., Nanni, E.A., Dasu, S., Peskin, M.E., Barklow, T., Bartoldus, R., Bhat, P.C., Black, K., Brau, J.E., Breidenbach, M., Bullard, B., Craig, N., Denisov, D., Gray, L., Harris, P.C., Kagan, M., Liu, Z., Meade, P., Majernik, N., Mohammadi, A., Nagaitsev, S., Ntounis, D., Ojalvo, I., Pachal, K., Paus, C., Rosenzweig, J., Schroeder, C., Schwartzman, A.G., Simakov, E., Swiatlowski, M., Spataro, B., Strube, J., Dong, S., Tantawi, S., Wang, L.-T., White, A., Wilson, G.W. (2023).  ”A “Cool” route to the Higgs boson and beyond. The Cool Copper Collider”, Journal of Instrumentation, 18 (7), -. DOI: 10.1088/1748-0221/18/07/P07053

Chen, W., Fu, Y., Stinis, P. (2023).  ”Physics-informed machine learning of redox flow battery based on a two-dimensional unit cell model”, Journal of Power Sources, 584 (-), -. DOI: 10.1016/j.jpowsour.2023.233548

Dutta, A., Al-Shaer, E., Chatterjee, S., Duan, Q. (2023).  ”Autonomous Cyber Defense Against Dynamic Multi-strategy Infrastructural DDoS Attacks”, 2023 IEEE Conference on Communications and Network Security, CNS 2023, - (-), -. DOI: 10.1109/CNS59707.2023.10288937

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Nagy, Z., Henze, G., Dey, S., Arroyo, J., Helsen, L., Zhang, X., Chen, B., Amasyali, K., Kurte, K., Zamzam, A., Zandi, H., Drgoňa, J., Quintana, M., McCullogh, S., Park, J.Y., Li, H., Hong, T., Brandi, S., Pinto, G., Capozzoli, A., Vrabie, D., Bergés, M., Nweye, K., Marzullo, T., Bernstein, A. (2023).  ”Ten questions concerning reinforcement learning for building energy management”, Building and Environment, 241 (-), -. DOI: 10.1016/j.buildenv.2023.110435

Hirata, S., Shigeta, Y., Xantheas, S.S., Bartlett, R.J. (2023).  ”Helical Organic and Inorganic Polymers”, Journal of Physical Chemistry B, 127 (15), 3556-3583. DOI: 10.1021/acs.jpcb.3c00620

Bylinkin, A., Dean, C.T., Fegan, S., Gangadharan, D., Gates, K., Kay, S.J.D., Korover, I., Li, W.B., Li, X., Montgomery, R., Nguyen, D., Penman, G., Pybus, J.R., Santiesteban, N., Shimizu, S., Trotta, R., Usman, A., Baker, M.D., Frantz, J., Glazier, D.I., Higinbotham, D.W., Horn, T., Huang, J., Huber, G.M., Reed, R., Roche, J., Schmidt, A., Steinberg, P., Stevens, J., Goto, Y., Munoz Camacho, C., Murray, M., Papandreou, Z., Zha, W., Adkins, J.K., Akiba, Y., Albataineh, A., Amaryan, M., Arsene, I.C., Ayerbe Gayoso, C., Bae, J., Bai, X., Bashkanov, M., Bellwied, R., Benmokhtar, F., Berdnikov, V., Bernauer, J.C., Bock, F., Boeglin, W., Borysova, M., Brash, E., Brindza, P., Briscoe, W.J., Brooks, M., Bueltmann, S., Bukhari, M.H.S., Capobianco, R., Chang, W.-C., Cheon, Y., Chen, K., Chen, K.-F., Cheng, K.-Y., Chiu, M., Chujo, T., Citron, Z., Cline, E., Cohen, E., Cormier, T., Corrales Morales, Y., Cotton, C., Crafts, J., Crawford, C., Creekmore, S., Cuevas, C., Cunningham, J., David, G., Demarteau, M., Diehl, S., Doshita, N., Dupré, R., Durham, J.M., Dzhygadlo, R., Ehlers, R., El Fassi, L., Emmert, A., Ent, R., Fanelli, C., Fatemi, R., Finger, M., Friedman, M., Friscic, I., Gardner, S., Geurts, F., Gilman, R., Glimos, E., Grau, N., Greene, S.V., Guo, A.Q., Guo, L., Ha, S.K., Haggerty, J., Hayward, T., He, X., Hen, O., Hoballah, M., Hoghmrtsyan, A., Hsu, P.-H.J., Hutson, A., Hwang, K.Y., Hyde, C.E., Inaba, M., Iwata, T., Jo, H.S., Joo, K., Kalantarians, N., Kalicy, G., Kawade, K., Kim, A., Kim, B., Kim, C., Kim, M., Kim, Y., Kistenev, E., Klimenko, V., Ko, S.H., Korsch, W., Krintiras, G., Kuhn, S., Kuo, C.-M., Kutz, T., Lajoie, J., Lawrence, D., Lebedev, S., Lee, H., Lee, J.S.H., Lee, S.W., Lee, Y.-J., Li, W., Liang, Y.T., Lim, S., Lin, C.-H., Lin, D.X., Liu, K., Liu, M.X., Livingston, K., Liyanage, N., Llope, W.J., Loizides, C., Long, E., Lu, R.-S., Lu, Z., Lynch, W., Mantry, S., Marchand, D., Marcisovsky, M., Markert, C., Markowitz, P., Marukyan, H., McGaughey, P., Mihovilovic, M., Milner, R.G., Milov, A., Miyachi, Y., Mkrtchyan, A., Monaghan, P., Morrison, D., Movsisyan, A., Mkrtchyan, H., Nagai, K., Nagle, J., Nakagawa, I., Nattrass, C., Niccolai, S., Nouicer, R., Nukazuka, G., Nycz, M., Okorokov, V.A., Orešić, S., Osborn, J.D., O'Shaughnessy, C., Paganis, S., Pate, S.F., Patel, M., Paus, C., Perdekamp, M.G., Perepelitsa, D.V., Periera da Costa, H., Peters, K., Phelps, W., Piasetzky, E., Pinkenburg, C., Prochazka, I., Protzman, T., Purschke, M.L., Putschke, J., Rajput-Ghoshal, R., Rasson, J., Raue, B., Read, K.F., Røed, K., Reinhold, J., Renner, E.L., Richards, J., Riedl, C., Rinn, T., Roland, G.M., Ron, G., Rosati, M., Royon, C., Ryu, J., Salur, S., Santos, R., Sarsour, M., Schambach, J., Schmidt, N., Schwarz, C., Schwiening, J., Seidl, R., Sickles, A., Simmerling, P., Sirca, S., Sharma, D., Shi, Z., Shibata, T.-A., Shih, C.-W., Shrestha, U., Slifer, K., Smith, K., Sokhan, D., Soltz, R., Sondheim, W., Song, J., Strakovsky, I.I., Stepanov, P., Strube, J., Sun, P., Sun, X., Suresh, K., Tadevosyan, V., Tang, W.-C., Tapia Araya, S., Tarafdar, S., Teodorescu, L., Thomas, D., Timmins, A., Tomasek, L., Trotta, N., Tveter, T.S., Umaka, E., van Hecke, H.W., Van Hulse, C., Velkovska, J., Voutier, E., Wang, P.K., Wang, Q., Wang, Y., Watts, D.P., Wickramaarachchi, N., Weinstein, L., Williams, M., Wong, C.-P., Wood, L., Wood, M.H., Woody, C., Wyslouch, B., Xiao, Z., Yamazaki, Y., Yang, Y., Ye, Z., Yoo, H.D., Yurov, M., Zachariou, N., Zajc, W.A., Zhang, J.-L., Zhang, J.-X., Zhang, Y., Zhao, Y.-X., Zheng, X., Zhuang, P. (2023).  ”Detector requirements and simulation results for the EIC exclusive, diffractive and tagging physics program using the ECCE detector concept”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1052 (-), -. DOI: 10.1016/j.nima.2023.168238

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Wang, M., Fang, B., Li, A., Nair, P. (2023).  ”Efficient QAOA Optimization using Directed Restarts and Graph Lookup”, QCCC 2023 - Proceedings of the 2023 International Workshop on Quantum Classical Cooperative Computing, - (-), 5-8. DOI: 10.1145/3588983.3596680

Das, H., Li, X., Li, L., Schuessler, B.J., Overman, N., Darsell, J.T., Upadhyay, P., Soulami, A., Herling, D.R., Joshi, V.V., Efe, M. (2023).  ”An innovative and alternative approach toward gear fabrication”, Journal of Manufacturing Processes, 102 (-), 319-329. DOI: 10.1016/j.jmapro.2023.07.050

Nielson, F.F., Kay, B., Young, S.J., Colby, S.M., Renslow, R.S., Metz, T.O. (2023).  ”Similarity Downselection: Finding the n Most Dissimilar Molecular Conformers for Reference-Free Metabolomics”, Metabolites, 13 (1), -. DOI: 10.3390/metabo13010105

Chatterjee, S., Thomas, D., Fortin, D., Pazdernik, K., Wilson, B., Newburn, L. (2023).  ”Dynamic Network Analysis of Nuclear Science Literature for Research Influence Assessment”, ESARDA Bulletin, 65 (-), 19-33. DOI: 10.3011/ESARDA.IJNSNP.2023.3

Dunning, T.H., Gordon, M.S., Xantheas, S.S. (2023).  ”The nature of the chemical bond”, Journal of Chemical Physics, 158 (13), -. DOI: 10.1063/5.0148500

Depastas, T., Souliotis, G.A., Tzeli, D., Xantheas, S.S. (2023).  ”Many-body expansion for light nuclear systems”, Physical Review C, 107 (4), -. DOI: 10.1103/PhysRevC.107.044004

Kelsey, M.H., Agnese, R., Alam, Y.F., Langroudy, I.A., Azadbakht, E., Brandt, D., Bunker, R., Cabrera, B., Chang, Y.-Y., Coombes, H., Cormier, R.M., Diamond, M.D., Edwards, E.R., Figueroa-Feliciano, E., Gao, J., Harrington, P.M., Hong, Z., Hui, M., Kurinsky, N.A., Lawrence, R.E., Loer, B., Masten, M.G., Michaud, E., Michielin, E., Miller, J., Novati, V., Oblath, N.S., Orrell, J.L., Perry, W.L., Redl, P., Reynolds, T., Saab, T., Sadoulet, B., Serniak, K., Singh, J., Speaks, Z., Stanford, C., Stevens, J.R., Strube, J., Toback, D., Ullom, J.N., VanDevender, B.A., Vissers, M.R., Wilson, M.J., Wilson, J.S., Zatschler, B., Zatschler, S. (2023).  ”G4CMP: Condensed matter physics simulation using the GEANT4 toolkit”, Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1055 (-), -. DOI: 10.1016/j.nima.2023.168473

Ashtari Esfahani, A., Böser, S., Buzinsky, N., Carmona-Benitez, M., Claessens, C., de Viveiros, L., Fertl, M., Formaggio, J., Gladstone, L., Grando, M., Hartse, J., Heeger, K., Huyan, X., Jones, A., Kazkaz, K., Li, M., Lindman, A., Matthé, C., Mohiuddin, R., Monreal, B., Mueller, R., Nikkel, J., Novitski, E., Oblath, N., Peña, J., Pettus, W., Reimann, R., Robertson, R., Saldaña, L., Slocum, P., Stachurska, J., Sun, Y.-H., Surukuchi, P., Telles, A., Thomas, F., Thomas, M., Thorne, L., Thümmler, T., Tvrznikova, L., Van De Pontseele, W., VanDevender, B., Weiss, T., Wendler, T., Zayas, E., Ziegler, A. (2023).  ”SYNCA: A Synthetic Cyclotron Antenna for the Project 8 Collaboration”, Journal of Instrumentation, 18 (1), -. DOI: 10.1088/1748-0221/18/01/P01034

Cheng, C., Zhou, Y., Xu, Y., Jia, H., Kim, J., Xu, W., Wang, C., Gao, P., Zhu, Z. (2023).  ”Dynamic Molecular Investigation of the Solid-Electrolyte Interphase of an Anode-Free Lithium Metal Battery Using In Situ Liquid SIMS and Cryo-TEM”, Nano Letters, 23 (18), 8385-8391. DOI: 10.1021/acs.nanolett.3c00709

Baker, C.R., Patel-Tupper, D., Cole, B.J., Ching, L.G., Dautermann, O., Kelikian, A.C., Allison, C., Pedraza, J., Sievert, J., Bilbao, A., Lee, J.-Y., Kim, Y.-M., Kyle, J.E., Bloodsworth, K.J., Paurus, V., Hixson, K.K., Hutmacher, R., Dahlberg, J., Lemaux, P.G., Niyogi, K.K. (2023).  ”Metabolomic, photoprotective, and photosynthetic acclimatory responses to post-flowering drought in sorghum”, Plant Direct, 7 (11), -. DOI: 10.1002/pld3.545

Richard, R.M., Keipert, K., Waldrop, J., Keçeli, M., Williams-Young, D., Bair, R., Boschen, J., Crandall, Z., Gasperich, K., Mahmud, Q.I., Panyala, A., Valeev, E., van Dam, H., de Jong, W.A., Windus, T.L. (2023).  ”PluginPlay: Enabling exascale scientific software one module at a time”, Journal of Chemical Physics, 158 (18), -. DOI: 10.1063/5.0147903

2022

Hadjivasiliou, C., Fulsom, B.G., Strube, J.F., Adachi, I., Aihara, H., Asner, D.M., Atmacan, H., Aushev, T., Babu, V., Belous, K., Bennett, J., Bessner, M., Bhardwaj, V., Bhuyan, B., Bilka, T., Biswal, J., Bodrov, D., Borah, J., Bozek, A., Bračko, M., Branchini, P., Browder, T.E., Budano, A., Campajola, M., Červenkov, D., Chang, M.-C., Chang, P., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., De Pietro, G., Di Capua, F., DoleŽal, Z., Dong, T.V., Dossett, D., Epifanov, D., Ferber, T., Garg, R., Gaur, V., Giri, A., Goldenzweig, P., Gu, T., Gudkova, K., Hayashii, H., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Inguglia, G., Ishikawa, A., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jia, S., Jin, Y., Kahn, J., Kaliyar, A.B., Kang, K.H., Karyan, G., Kiesling, C., Kim, C.H., Kim, D.Y., Kim, K.T., Kim, Y.-K., Kodyš, P., Konno, T., Korobov, A., Korpar, S., Kovalenko, E., KriŽan, P., Kroeger, R., Krokovny, P., Kumar, R., Kumara, K., Kwon, Y.-J., Lee, S.C., Li, L.K., Li, S.X., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Macqueen, C., Masuda, M., Matvienko, D., Merola, M., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mussa, R., Nakao, M., Natkaniec, Z., Natochii, A., Nayak, M., Nisar, N.K., Nishida, S., Nishimura, K., Ono, H., Oskin, P., Pakhlov, P., Pakhlova, G., Pang, T., Park, S.-H., Paul, S., Pedlar, T.K., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sandilya, S., Sangal, A., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schwanda, C., Seino, Y., Senyo, K., Shapkin, M., Shen, C.P., Shiu, J.-G., Shwartz, B., Simon, F., Singh, J.B., Solovieva, E., Starič, M., Stottler, Z.S., Sumihama, M., Sumiyoshi, T., Takizawa, M., Tanida, K., Tenchini, F., Uchida, M., Uglov, T., Unno, Y., Uno, S., Van Tonder, R., Varner, G., Vinokurova, A., Waheed, E., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Wang, X.L., Watanuki, S., Wood, L., Yabsley, B.D., Yan, W., Ye, H., Yelton, J., Yin, J.H., Zhang, Z.P., Zhilich, V., Zhukova, V. (2022).  ”Search for B0 meson decays into Λ and missing energy with a hadronic tagging method at Belle”, Physical Review D, 105 (5), -. DOI: 10.1103/PhysRevD.105.L051101

Friese, R.D. (2022).  ”Message from the HCW General Chair”, Proceedings - 2022 IEEE 36th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2022, - (-), -. DOI: 10.1109/IPDPSW55747.2022.00009

Ghosh, S., Grant, R., Zambre, R. (2022).  ”Message from the TPC Chairs HOTI 2022”, Proceedings - 2022 IEEE Symposium on High-Performance Interconnects, HOTI 2022, - (-), -. DOI: 10.1109/HOTI55740.2022.00006

Mao, Y., Sharma, V., Zheng, W., Cheng, L., Guan, Q., Li, A. (2022).  ”Elastic Resource Management for Deep Learning Applications in a Container Cluster”, IEEE Transactions on Cloud Computing, - (-), 1-13. DOI: 10.1109/TCC.2022.3194128

Peng, B., Gulania, S., Alexeev, Y., Govind, N. (2022).  ”Quantum time dynamics employing the Yang-Baxter equation for circuit compression”, Physical Review A, 106 (1), -. DOI: 10.1103/PhysRevA.106.012412

Santis, G.D., Takeda, N., Hirata, K., Tsuruta, K., Ishiuchi, S.-I., Xantheas, S.S., Fujii, M. (2022).  ”Structure of Gas Phase Monohydrated Nicotine: Implications for Nicotine's Native Structure in the Acetylcholine Binding Protein”, Journal of the American Chemical Society, 144 (37), 16698-16702. DOI: 10.1021/jacs.2c04064

Heindel, J.P., Kirov, M.V., Xantheas, S.S. (2022).  ”Hydrogen bond arrangements in (H2O)20, 24, 28clathrate hydrate cages: Optimization and many-body analysis”, Journal of Chemical Physics, 157 (9), -. DOI: 10.1063/5.0095335

Zeng, C., Fu, Y., Singh, R., Bao, J., Xu, Z. (2022).  ”Differentiation of static and dynamic interfacial area in the structured packed column”, Chemical Engineering Science, 260 (-), -. DOI: 10.1016/j.ces.2022.117877

Tumeo, A., Minutoli, M., Feo, J., Castellana, V.G. (2022).  ”Message from the IA322 Workshop Chairs”, Proceedings of IA3 2022: Workshop on Irregular Applications: Architectures and Algorithms, Held in conjunction with SC 2022: The International Conference for High Performance Computing, Networking, Storage and Analysis, - (-), -. DOI: 10.1109/IA356718.2022.00004

Li, J., Stinis, P. (2022).  ”MODEL REDUCTION FOR A POWER GRID MODEL”, Journal of Computational Dynamics, 9 (1), 1-26. DOI: 10.3934/JCD.2021019

Tzeli, D., Xantheas, S.S. (2022).  ”Breaking covalent bonds in the context of the many-body expansion (MBE). I. the purported "first row anomaly" in XHn (X = C, Si, Ge, Sn; N = 1-4)”, Journal of Chemical Physics, 156 (24), -. DOI: 10.1063/5.0095329

Stein, S.A., Wiebe, N., Ang, J., Li, A. (2022).  ”Improving Variational Quantum Algorithms performance through Weighted Quantum Ensembles”, Proceedings - 2022 IEEE 36th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2022, - (-), 616-617. DOI: 10.1109/IPDPSW55747.2022.00105

Gao, P., Andersen, A., Sepulveda, J., Panapitiya, G.U., Hollas, A., Saldanha, E.G., Murugesan, V., Wang, W. (2022).  ”SOMAS: a platform for data-driven material discovery in redox flow battery development”, Scientific Data, 9 (1), -. DOI: 10.1038/s41597-022-01814-4

Wu, N., Castellana, V.G., Kaiser, H. (2022).  ”Towards superior software portability with SHAD and HPX C++ libraries”, ACM International Conference Proceeding Series, - (-), 251-257. DOI: 10.1145/3528416.3530784

Minutoli, M., Castellana, V.G., Saporetti, N., Devecchi, S., Lattuada, M., Fezzardi, P., Tumeo, A., Ferrandi, F. (2022).  ”Svelto: High-Level Synthesis of Multi-Threaded Accelerators for Graph Analytics”, IEEE Transactions on Computers, 71 (3), 520-533. DOI: 10.1109/TC.2021.3057860

Lee, K., Trask, N., Stinis, P. (2022).  ”Structure-preserving Sparse Identification of Nonlinear Dynamics for Data-driven Modeling”, Proceedings of Machine Learning Research, 190 (-), 65-80. https://-

Date, P., Potok, T., Schuman, C., Kay, B. (2022).  ”Neuromorphic Computing is Turing-Complete”, ACM International Conference Proceeding Series, - (-), -. DOI: 10.1145/3546790.3546806

Ashraf, R.A., Gioiosa, R. (2022).  ”Exploring the Use of Novel Spatial Accelerators in Scientific Applications”, ICPE 2022 - Proceedings of the 2022 ACM/SPEC International Conference on Performance Engineering, - (-), 47-58. DOI: 10.1145/3489525.3511690

Mason, C.J.T., Choi, K.S., Soulami, A., Johnson, K.I., Brooks, K.P., Karri, N.K., Joshi, V.V. (2022).  ”COMPUTATIONAL MODELING OF MULTI-PASS ROLLING PARAMETERS EFFECT ON RESULTING FUEL FOIL SHAPE”, ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE), 6 (-), -. DOI: 10.1115/IMECE2022-95081

Panchal, K., Das, S.S., De La Torre, L., Miller, J., Rallo, R., Halappanavar, M. (2022).  ”Efficient Clustering of Software Vulnerabilities using Self Organizing Map (SOM)”, 2022 IEEE International Symposium on Technologies for Homeland Security, HST 2022, - (-), -. DOI: 10.1109/HST56032.2022.10025443

Agostini, N.B., Curzel, S., Limaye, A., Amatya, V., Minutoli, M., Castellana, V.G., Manzano, J., Tumeo, A., Ferrandi, F. (2022).  ”Invited: The SODA Approach: Leveraging High-Level Synthesis for Hardware/Software Co-design and Hardware Specialization”, Proceedings - Design Automation Conference, - (-), 1359-1362. DOI: 10.1145/3489517.3530628

Watson, J.R., Chatterjee, S., Ganguly, A. (2022).  ”Resilience of Urban Rail Transit Networks under Compound Natural and Opportunistic Failures”, 2022 IEEE International Symposium on Technologies for Homeland Security, HST 2022, - (-), -. DOI: 10.1109/HST56032.2022.10025456

Agostini, N.B., Curzel, S., Amatya, V., Tan, C., Minutoli, M., Castellana, V.G., Manzano, J., Kaeli, D., Tumeo, A. (2022).  ”An MLIR-based compiler flow for system-level design and hardware acceleration”, IEEE/ACM International Conference on Computer-Aided Design, Digest of Technical Papers, ICCAD, - (-), -. DOI: 10.1145/3508352.3549424

Tan, C., Agostini, N.B., Geng, T., Xie, C., Li, J., Li, A., Barker, K.J., Tumeo, A. (2022).  ”DRIPS: Dynamic Rebalancing of Pipelined Streaming Applications on CGRAs”, Proceedings - International Symposium on High-Performance Computer Architecture, 2022- (-), 304-316. DOI: 10.1109/HPCA53966.2022.00030

Rajput, A., Roggero, A., Wiebe, N. (2022).  ”Hybridized Methods for Quantum Simulation in the Interaction Picture”, Quantum, 6 (-), 1-41. https://10.22331/Q-2022-08-17-780

Baheri, B., Guan, Q., Chaudhary, V., Li, A. (2022).  ”Quantum Noise in the Flow of Time: A Temporal Study of the Noise in Quantum Computers”, Proceedings - 2022 IEEE 28th International Symposium on On-Line Testing and Robust System Design, IOLTS 2022, - (-), -. DOI: 10.1109/IOLTS56730.2022.9897404

Qadeer, S., Santis, G.D., Stinis, P., Xantheas, S.S. (2022).  ”Vibrational levels of a generalized Morse potential”, Journal of Chemical Physics, 157 (14), -. DOI: 10.1063/5.0103433

Barik, R., Minutoli, M., Halappanavar, M., Kalyanaraman, A. (2022).  ”IMpart: A Partitioning-based Parallel Approach to Accelerate Influence Maximization”, Proceedings - 2022 IEEE 29th International Conference on High Performance Computing, Data, and Analytics, HiPC 2022, - (-), 125-134. DOI: 10.1109/HiPC56025.2022.00028

Zhang, C., Jin, S., Geng, T., Tian, J., Li, A., Tao, D. (2022).  ”CEAZ: Accelerating Parallel I/O via Hardware-Algorithm Co-Designed Adaptive Lossy Compression”, Proceedings of the International Conference on Supercomputing, - (-), -. DOI: 10.1145/3524059.3532362

Sharma, P., Riepnieks, A., Reiman, A., Singh, A., Melton, R., Ogle, J., Allwardt, C. (2022).  ”Model-Based Interface Design for Smart Field-Device Integration”, Papers Presented at the Annual Conference - Rural Electric Power Conference, 2022- (-), 31-37. DOI: 10.1109/REPEC55671.2022.00014

Huang, R., Chen, Y., Yin, T., Huang, Q., Tan, J., Yu, W., Li, X., Li, A., Du, Y. (2022).  ”Learning and Fast Adaptation for Grid Emergency Control via Deep Meta Reinforcement Learning”, IEEE Transactions on Power Systems, 37 (6), 4168-4178. DOI: 10.1109/TPWRS.2022.3155117

Rustam, S., Schram, M., Lu, Z., Chaka, A.M., Rosenthal, W.S., Pfaendtner, J. (2022).  ”Optimization of Thermal Conductance at Interfaces Using Machine Learning Algorithms”, ACS Applied Materials and Interfaces, 14 (28), 32590-32597. DOI: 10.1021/acsami.1c23222

Peng, B., Kowalski, K. (2022).  ”Mapping renormalized coupled cluster methods to quantum computers through a compact unitary representation of nonunitary operators”, Physical Review Research, 4 (4), -. DOI: 10.1103/PhysRevResearch.4.043172

Li, L., Reza-E-Rabby, M., Overman, N., Wang, T., Whalen, S., Grant, G., Mathaudhu, S., Soulami, A. (2022).  ”Analysis of contact conditions and microstructure evolution in shear assisted processing and extrusion using smoothed particle hydrodynamics method”, Materials and Design, 221 (-), -. DOI: 10.1016/j.matdes.2022.111010

Kulkarni, S.S., Choi, K.S., Simmons, K. (2022).  ”Coupled diffusion-deformation-damage model for polymers used in hydrogen infrastructure”, Proceedings of ASME 2022 17th International Manufacturing Science and Engineering Conference, MSEC 2022, 2 (-), -. DOI: 10.1115/MSEC2022-80231

Li, A., Guan, Q. (2022).  ”International Workshop on Quantum Classical Cooperative Computing (QCCC 2022)”, Proceedings - 2022 IEEE 36th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2022, - (-), -. https://10.1109/IPDPSW55747.2022.00100

Agostini, N.B., Limaye, A., Minutoli, M., Castellana, V.G., Manzano, J., Tumeo, A., Curzel, S., Ferrandi, F. (2022).  ”SODA synthesizer: An open-source, multi-level, modular, extensible compiler from high-level frameworks to silicon”, IEEE/ACM International Conference on Computer-Aided Design, Digest of Technical Papers, ICCAD, - (-), -. DOI: 10.1145/3508352.3561101

Vamvoudakis, K.G., Lewis, F.L., Vrabie, D. (2022).  ”Reinforcement learning with applications in autonomous control and game theory”, Handbook On Computer Learning And Intelligence, 2-2 (-), 731-773. DOI: 10.1142/9789811247323_0019

You, H., Geng, T., Zhang, Y., Li, A., Lin, Y. (2022).  ”GCoD: Graph Convolutional Network Acceleration via Dedicated Algorithm and Accelerator Co-Design”, Proceedings - International Symposium on High-Performance Computer Architecture, 2022- (-), 460-474. DOI: 10.1109/HPCA53966.2022.00041

Nowak, K., Marrero, C.O., Young, S.J. (2022).  ”ON THE STRUCTURE OF ISOMETRICALLY EMBEDDABLE METRIC SPACES”, Electronic Journal of Linear Algebra, 38 (-), 91-106. DOI: 10.13001/ela.2022.6891

Aulicino, J.C., Keen, T., Peng, B. (2022).  ”State preparation and evolution in quantum computing: A perspective from Hamiltonian moments”, International Journal of Quantum Chemistry, 122 (5), -. DOI: 10.1002/qua.26853

Agarwal, K., Choudhury, S., Tipirneni, S., Mukherjee, P., Ham, C., Tamang, S., Baker, M., Tang, S., Kocaman, V., Gevaert, O., Rallo, R., Reddy, C.K. (2022).  ”Preparing for the next pandemic via transfer learning from existing diseases with hierarchical multi-modal BERT: a study on COVID-19 outcome prediction”, Scientific Reports, 12 (1), -. DOI: 10.1038/s41598-022-13072-w

Eswaran, S., Subramaniam, S., Sanyal, U., Rallo, R., Zhang, X. (2022).  ”Molecular structural dataset of lignin macromolecule elucidating experimental structural compositions”, Scientific Data, 9 (1), -. DOI: 10.1038/s41597-022-01709-4

Waheed, E., Urquijo, P., Adachi, I., Aihara, H., Al Said, S., Asner, D.M., Atmacan, H., Aulchenko, V., Aushev, T., Bahinipati, S., Behera, P., Belous, K., Bennett, J., Bessner, M., Bhardwaj, V., Bhuyan, B., Bilka, T., Biswal, J., Bobrov, A., Bodrov, D., Borah, J., Bozek, A., Bračko, M., Branchini, P., Browder, T.E., Budano, A., Campajola, M., Červenkov, D., Chang, M.-C., Chang, P., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., De Nardo, G., De Pietro, G., Dhamija, R., Di Capua, F., DoleŽal, Z., Dong, T.V., Epifanov, D., Ferber, T., Ferlewicz, D., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Giri, A., Goldenzweig, P., Golob, B., Graziani, E., Gu, T., Guan, Y., Gudkova, K., Hadjivasiliou, C., Halder, S., Hartbrich, O., Hayasaka, K., Hayashii, H., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jia, S., Jin, Y., Joo, K.K., Kaliyar, A.B., Kang, K.H., Kichimi, H., Kim, C.H., Kim, D.Y., Kim, K.-H., Kim, K.T., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korobov, A., Korpar, S., Kovalenko, E., KriŽan, P., Kroeger, R., Krokovny, P., Kumar, M., Kumar, R., Kumara, K., Kwon, Y.-J., Lai, Y.-T., Lange, J.S., Laurenza, M., Lee, S.C., Li, J., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liventsev, D., Macqueen, C., Masuda, M., Matsuda, T., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mussa, R., Nakao, M., Natochii, A., Nayak, L., Nayak, M., Niiyama, M., Nisar, N.K., Nishida, S., Ogawa, S., Ono, H., Oskin, P., Pakhlov, P., Pakhlova, G., Pang, T., Park, H., Park, S.-H., Passeri, A., Patra, S., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sandilya, S., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schwanda, C., Schwartz, A.J., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shen, C.P., Shiu, J.-G., Simon, F., Singh, J.B., Sokolov, A., Solovieva, E., Starič, M., Stottler, Z.S., Strube, J.F., Sumihama, M., Sumiyoshi, T., Sutcliffe, W., Takizawa, M., Tamponi, U., Tanida, K., Tenchini, F., Trabelsi, K., Uchida, M., Uglov, T., Unno, Y., Uno, K., Uno, S., Usov, Y., Vahsen, S.E., Van Tonder, R., Varner, G., Varvell, K.E., Vinokurova, A., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Wang, X.L., Wiechczynski, J., Won, E., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yelton, J., Yin, J.H., Yusa, Y., Zhang, Z.P., Zhilich, V., Zhukova, V. (2022).  ”Study of B ¯ 0 →d+h- (h=K/π) decays at Belle STUDY of B ¯ 0 →d+h- (h=K/π) ... WAHEED E. et al.”, Physical Review D, 105 (1), -. DOI: 10.1103/PhysRevD.105.012003

Hirsh, S.M., Barajas-Solano, D.A., Kutz, J.N. (2022).  ”Sparsifying priors for Bayesian uncertainty quantification in model discovery”, Royal Society Open Science, 9 (2), -. DOI: 10.1098/rsos.211823

Herman, K.M., Stone, A.J., Xantheas, S.S. (2022).  ”Erratum: A classical model for three-body interactions in aqueous ionic systems (J. Chem. Phys. (2022) 157 (024101) DOI: 10.1063/5.0095739)”, Journal of Chemical Physics, 157 (12), -. DOI: 10.1063/5.0123910

Das, S.S., Dutta, A., Purohit, S., Serra, E., Halappanavar, M., Pothen, A. (2022).  ”Towards Automatic Mapping of Vulnerabilities to Attack Patterns using Large Language Models”, 2022 IEEE International Symposium on Technologies for Homeland Security, HST 2022, - (-), -. DOI: 10.1109/HST56032.2022.10025459

Stein, S., Wiebe, N., Ang, J., Li, A. (2022).  ”Benchmarking Quantum Processor Performance through Quantum Distance Metrics Over An Algorithm Suite”, Proceedings - 2022 IEEE 36th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2022, - (-), 618-624. DOI: 10.1109/IPDPSW55747.2022.00106

Tiwari, D., Jero, S., Ujcich, B., Hoque, E., Cinque, M., Hsiao, H.-C., Skowyra, R., Guan, Q., Fang, B., Zonouz, S.A., Li, G. (2022).  ”Message from the Fast Abstracts Chairs: DSN 2022”, Proceedings - 52nd Annual IEEE/IFIP International Conference on Dependable Systems and Networks - Supplemental Volume, DSN-S 2022, - (-), XI-XII. DOI: 10.1109/DSN-S54099.2022.00007

Stavenger, T.J., Crane, E., Smith, K.C., Kang, C.T., Girvin, S.M., Wiebe, N. (2022).  ”C2QA - Bosonic Qiskit”, 2022 IEEE High Performance Extreme Computing Conference, HPEC 2022, - (-), -. DOI: 10.1109/HPEC55821.2022.9926318

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Li, L., Fortier, A., Ramirez-Tamayo, D., Joshi, V.V., Soulami, A. (2022).  ”Minimizing thickness variation in monolithic U-10Mo fuel foil and Zr interlayer during hot rolling: A microstructure-based finite element method analysis”, Materials Today Communications, 32 (-), -. DOI: 10.1016/j.mtcomm.2022.103910

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Bartoldson, B., Wang, R., Fu, Y., Widemann, D., Nguyen, S., Bao, J., Xu, Z., Ng, B. (2022).  ”Latent Space Simulation for Carbon Capture Design Optimization”, Proceedings of the 36th AAAI Conference on Artificial Intelligence, AAAI 2022, 36 (-), 12447-12453.

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Nandanoori, S.P., Guan, S., Kundu, S., Pal, S., Agarwal, K., Wu, Y., Choudhury, S. (2022).  ”Graph Neural Network and Koopman Models for Learning Networked Dynamics: A Comparative Study on Power Grid Transients Prediction”, IEEE Access, 10 (-), 32337-32349. DOI: 10.1109/ACCESS.2022.3160710

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Lee, H., Jain, M., Ghosh, S. (2022).  ”Sparse Deep Neural Network Inference Using Different Programming Models”, 2022 IEEE High Performance Extreme Computing Conference, HPEC 2022, - (-), -. DOI: 10.1109/HPEC55821.2022.9926362

Aksoy, S.G., Hagberg, A., Joslyn, C.A., Kay, B., Purvine, E., Young, S.J. (2022).  ”Models and Methods for Sparse (Hyper)Network Science in Business, Industry, and Government”, Notices of the American Mathematical Society, 69 (2), 287-291. DOI: 10.1090/noti2424

Inami, K., Hayasaka, K., Adachi, I., Aihara, H., Al Said, S., Asner, D.M., Aulchenko, V., Aushev, T., Ayad, R., Babu, V., Bahinipati, S., Behera, P., Bessner, M., Bhuyan, B., Bilka, T., Biswal, J., Bobrov, A., Bonvicini, G., Bozek, A., Bračko, M., Browder, T.E., Campajola, M., Červenkov, D., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., De Nardo, G., Dhamija, R., Di Capua, F., Doležal, Z., Dong, T.V., Dubey, S., Eidelman, S., Epifanov, D., Ferber, T., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Garmash, A., Giri, A., Goldenzweig, P., Golob, B., Greenwald, D., Gudkova, K., Hadjivasiliou, C., Hartbrich, O., Hayashii, H., Hedges, M.T., Hou, W.-S., Hsu, C.-L., Iijima, T., Inguglia, G., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jang, E.-J., Jin, Y., Joo, C.W., Joo, K.K., Kato, Y., Kawasaki, T., Kichimi, H., Kiesling, C., Kim, C.H., Kim, D.Y., Kim, S.H., Kim, Y.-K., Kimmel, T.D., Kinoshita, K., Kodyš, P., Konno, T., Korpar, S., Križan, P., Kroeger, R., Krokovny, P., Kulasiri, R., Kumar, M., Kumar, R., Kumara, K., Kwon, Y.-J., Lalwani, K., Lange, J.S., Lee, S.C., Li, C.H., Li, J., Li, L.K., Li, Y.B., Gioi, L.L., Libby, J., Liventsev, D., MacQueen, C., Masuda, M., Matsuda, T., Matvienko, D., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mohanty, S., Moon, T.J., Nakao, M., Natochii, A., Nayak, L., Nayak, M., Nisar, N.K., Nishida, S., Ogawa, S., Ono, H., Onuki, Y., Oskin, P., Pakhlov, P., Pakhlova, G., Pardi, S., Park, S.-H., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Rabusov, A., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sandilya, S., Sangal, A., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schwanda, C., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shiu, J.-G., Shwartz, B., Simon, F., Solovieva, E., Starič, M., Stottler, Z.S., Strube, J.F., Sumisawa, K., Sutcliffe, W., Takizawa, M., Tamponi, U., Tanida, K., Tao, Y., Tenchini, F., Trabelsi, K., Uchida, M., Uehara, S., Uno, S., Ushiroda, Y., Van Tonder, R., Varner, G., Vinokurova, A., Wang, C.H., Wang, E., Wang, P., Watanabe, M., Watanuki, S., Won, E., Xu, X., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yin, J.H., Yusa, Y., Zhang, Z.P., Zhilich, V., Zhukova, V. (2022).  ”An improved search for the electric dipole moment of the τ lepton”, Journal of High Energy Physics, 2022 (4), -. DOI: 10.1007/JHEP04(2022)110

Liu, X., Lumsdaine, A., Halappanavar, M., Barker, K., Gebremedhin, A. (2022).  ”Direction-optimizing Label Propagation Framework for Structure Detection in Graphs: Design, Implementation, and Experimental Analysis”, ACM Journal of Experimental Algorithmics, 27 (2), -. DOI: 10.1145/3564593

Guo, A., Geng, T., Zhang, Y., Haghi, P., Wu, C., Tan, C., Lin, Y., Li, A., Herbordt, M. (2022).  ”A Framework for Neural Network Inference on FPGA-Centric SmartNICs”, Proceedings - 2022 32nd International Conference on Field-Programmable Logic and Applications, FPL 2022, - (-), 430-437. DOI: 10.1109/FPL57034.2022.00071

Ghosh, S., Tallent, N.R., Halappanavar, M. (2022).  ”Characterizing Performance of Graph Neighborhood Communication Patterns”, IEEE Transactions on Parallel and Distributed Systems, 33 (4), 915-928. DOI: 10.1109/TPDS.2021.3101425

Mato, J., Tzeli, D., Xantheas, S.S. (2022).  ”Publisher's Note: "The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca" (J. Chem. Phys. (2022) 157 (084313) DOI: 10.1063/5.0094598)”, Journal of Chemical Physics, 157 (12), -. DOI: 10.1063/5.0123916

Curzel, S., Jovic, S., Fiorito, M., Tumeo, A., Ferrandi, F. (2022).  ”MLIR Loop Optimizations for High-Level Synthesis: a Case Study”, Parallel Architectures and Compilation Techniques - Conference Proceedings, PACT, - (-), 544-545. DOI: 10.1145/3559009.3569688

Balusu, K., Li, L., Choi, K.S., Soulami, A. (2022).  ”COUPLING SMOOTHED PARTICLE HYDRODYNAMICS WITH FINITE ELEMENT METHOD TO SIMULATE RESIDUAL STRESSES FROM FRICTION STIR PROCESSING”, ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE), 9 (-), -. DOI: 10.1115/IMECE2022-93695

O'Brien, T.E., Streif, M., Rubin, N.C., Santagati, R., Su, Y., Huggins, W.J., Goings, J.J., Moll, N., Kyoseva, E., Degroote, M., Tautermann, C.S., Lee, J., Berry, D.W., Wiebe, N., Babbush, R. (2022).  ”Efficient quantum computation of molecular forces and other energy gradients”, Physical Review Research, 4 (4), -. DOI: 10.1103/PhysRevResearch.4.043210

Zhang, X., Gao, P., Wu, Z., Engelhard, M.H., Cao, X., Jia, H., Xu, Y., Liu, H., Wang, C., Liu, J., Zhang, J.-G., Liu, P., Xu, W. (2022).  ”Pinned Electrode/Electrolyte Interphase and Its Formation Origin for Sulfurized Polyacrylonitrile Cathode in Stable Lithium Batteries”, ACS Applied Materials and Interfaces, 14 (46), 52046-52057. DOI: 10.1021/acsami.2c16890

Cortez, W.S., Dimarogonas, D.V. (2022).  ”On Compatibility and Region of Attraction for Safe, Stabilizing Control Laws”, IEEE Transactions on Automatic Control, 67 (9), 4924-4931. DOI: 10.1109/TAC.2022.3168240

Fang, B., Hari, S.K.S., Tsai, T., Li, X., Gopalakrishnan, G., Laguna, I., Barker, K., Li, A. (2022).  ”Towards Precision-Aware Fault Tolerance Approaches for Mixed-Precision Applications”, Proceedings of FTXS 2022: Workshop on Fault Tolerance for HPC at eXtreme Scale, Held in conjunction with SC 2022: The International Conference for High Performance Computing, Networking, Storage and Analysis, - (-), 47-52. DOI: 10.1109/FTXS56515.2022.00010

Schranz, T., Exenberger, J., Legaard, C.M., Drgoňa, J., Schweiger, G. (2022).  ”Energy Prediction under Changed Demand Conditions: Robust Machine Learning Models and Input Feature Combinations”, Building Simulation Conference Proceedings, - (-), 3268-3275. DOI: 10.26868/25222708.2021.30806

Escobar, J., Gwalani, B., Olszta, M., Silverstein, J., Ajantiwalay, T., Overman, N., Fu, W., Li, Y., Bergmann, L., Maawad, E., Klusemann, B., dos Santos, J.F., Devaraj, A. (2022).  ”Heterogenous activation of dynamic recrystallization and twinning during friction stir processing of a Cu-4Nb alloy”, Journal of Alloys and Compounds, 928 (-), -. DOI: 10.1016/j.jallcom.2022.167007

Ramirez-Tamayo, D., Soulami, A., Gupta, V., Restrepo, D., Montoya, A., Nickerson, E., Roosendaal, T., Simmons, K., Petrossian, G., Millwater, H. (2022).  ”A complex-variable finite element method-based inverse methodology to extract constitutive parameters using experimental data”, International Journal of Solids and Structures, 243 (-), -. DOI: 10.1016/j.ijsolstr.2022.111545

Herman, K.M., Aprà, E., Xantheas, S.S. (2022).  ”A critical comparison of CH⋯π versus π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods”, Physical Chemistry Chemical Physics, 25 (6), 4824-4838. https://10.1039/d2cp04335a

Stein, S., Mao, Y., Ang, J., Li, A. (2022).  ”QuCNN: A Quantum Convolutional Neural Network with Entanglement Based Backpropagation”, Proceedings - 2022 IEEE/ACM 7th Symposium on Edge Computing, SEC 2022, - (-), 368-374. DOI: 10.1109/SEC54971.2022.00054

Tzeli, D., Xantheas, S.S. (2022).  ”Erratum: Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XHn (X = C, Si, Ge, Sn; n = 1-4) (J. Chem. Phys. (2022) 156 (244303) DOI: 10.1063/5.0095329)”, Journal of Chemical Physics, 157 (12), -. DOI: 10.1063/5.0123913

Kepner, J., Aaltonen, P., Bader, D., Buluc, A., Franchetti, F., Gilbert, J., Hutchison, S., Kumar, M., Lumsdaine, A., Meyerhenke, H., McMillan, S., Moreira, J., Owens, J.D., Yang, C., Zalewski, M., Mattson, T.G. (2022).  ”Introduction to GraphBLAS”, Massive Graph Analytics, - (-), 507-524. DOI: 10.1201/9781003033707-24

Meng, X., Yang, L., Mao, Z., del Águila Ferrandis, J., Karniadakis, G.E. (2022).  ”Learning functional priors and posteriors from data and physics”, Journal of Computational Physics, 457 (-), -. DOI: 10.1016/j.jcp.2022.111073

Agostini, N.B., Curzel, S., Kaeli, D., Tumeo, A. (2022).  ”SODA-OPT an MLIR based flow for co-design and high-level synthesis”, ACM International Conference Proceeding Series, - (-), 201-202. DOI: 10.1145/3528416.3530866

Guo, A., Geng, T., Zhang, Y., Haghi, P., Wu, C., Tan, C., Lin, Y., Li, A., Herbordt, M. (2022).  ”FCsN: A FPGA-Centric SmartNIC Framework for Neural Networks”, Proceedings - 2022 IEEE 30th International Symposium on Field-Programmable Custom Computing Machines, FCCM 2022, - (-), -. DOI: 10.1109/FCCM53951.2022.9786193

Ghosh, S. (2022).  ”Improved Distributed-memory Triangle Counting by Exploiting the Graph Structure”, 2022 IEEE High Performance Extreme Computing Conference, HPEC 2022, - (-), -. DOI: 10.1109/HPEC55821.2022.9926376

Gulania, S., He, Z., Peng, B., Govind, N., Alexeev, Y. (2022).  ”QuYBE - An Algebraic Compiler for Quantum Circuit Compression”, Proceedings - 2022 IEEE/ACM 7th Symposium on Edge Computing, SEC 2022, - (-), 406-410. DOI: 10.1109/SEC54971.2022.00060

Dos Reis, F.B., Reiman, A.P., Black, G.D. (2022).  ”Distributed Multi-Area State Estimation for Distribution Systems”, IEEE Power and Energy Society General Meeting, 2022- (-), -. DOI: 10.1109/PESGM48719.2022.9917205

Keen, T., Peng, B., Kowalski, K., Lougovski, P., Johnston, S. (2022).  ”Hybrid quantum-classical approach for coupled-cluster Green's function theory”, Quantum, 6 (-), -. DOI: 10.22331/Q-2022-03-30-675

Guo, L., Ashraf, R.A., Friese, R.D., Kestor, G. (2022).  ”Towards Supporting Semiring in MLIR-based COMET Compiler”, Parallel Architectures and Compilation Techniques - Conference Proceedings, PACT, - (-), 542-543. DOI: 10.1145/3559009.3569683

Chen, J.-A., Sung, H.-H., Shen, X., Tallent, N., Barker, K., Lit, A. (2022).  ”Bit-GraphBLAS: Bit-Level Optimizations of Matrix-Centric Graph Processing on GPU”, Proceedings - 2022 IEEE 36th International Parallel and Distributed Processing Symposium, IPDPS 2022, - (-), 515-525. DOI: 10.1109/IPDPS53621.2022.00056

Fang, B., Ozkaval, M.Y., Li, A., Catalyurek, U.V., Krishnamoorthy, S. (2022).  ”Efficient Hierarchical State Vector Simulation of Quantum Circuits via Acyclic Graph Partitioning”, Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2022- (-), 289-300. DOI: 10.1109/CLUSTER51413.2022.00041

Poudel, S., Black, G.D., Reiman, A.P. (2022).  ”Validation of Power Distribution Models using Load Flow Analysis in an ADMS Environment”, IEEE Power and Energy Society General Meeting, 2022- (-), -. DOI: 10.1109/PESGM48719.2022.9917168

Roggero, A., Filipek, J., Hsu, S.-C., Wiebe, N. (2022).  ”Quantum Machine Learning with SQUID”, Quantum, 6 (-), -. DOI: 10.22331/Q-2022-05-30-727

Curzel, S., Agostini, N.B., Tumeo, A., Ferrandi, F. (2022).  ”Hardware acceleration of complex machine learning models through modern high-level synthesis”, ACM International Conference Proceeding Series, - (-), 209-210. DOI: 10.1145/3528416.3530870

Shah, M., Neff, R., Wu, H., Minutoli, M., Tumeo, A., Becchi, M. (2022).  ”Accelerating Random Forest Classification on GPU and FPGA”, ACM International Conference Proceeding Series, - (-), -. DOI: 10.1145/3545008.3545067

Ren, H., Cromwell, E., Kravitz, B., Chen, X. (2022).  ”Technical note: Using long short-term memory models to fill data gaps in hydrological monitoring networks”, Hydrology and Earth System Sciences, 26 (7), 1727-1743. DOI: 10.5194/hess-26-1727-2022

Clyde, A., Galanie, S., Kneller, D.W., Ma, H., Babuji, Y., Blaiszik, B., Brace, A., Brettin, T., Chard, K., Chard, R., Coates, L., Foster, I., Hauner, D., Kertesz, V., Kumar, N., Lee, H., Li, Z., Merzky, A., Schmidt, J.G., Tan, L., Titov, M., Trifan, A., Turilli, M., Van Dam, H., Chennubhotla, S.C., Jha, S., Kovalevsky, A., Ramanathan, A., Head, M.S., Stevens, R. (2022).  ”High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor”, Journal of Chemical Information and Modeling, 62 (1), 116-128. DOI: 10.1021/acs.jcim.1c00851

Zeng, C., Kim, S., Chen, Y., Fu, Y., Bao, J., Xu, Z., Wang, W. (2022).  ”Characterization of Electrochemical Behavior for Aqueous Organic Redox Flow Batteries”, Journal of the Electrochemical Society, 169 (12), -. DOI: 10.1149/1945-7111/acadad

Jia, H., Xu, Y., Zou, L., Gao, P., Zhang, X., Taing, B., Matthews, B.E., Engelhard, M.H., Burton, S.D., Han, K.S., Zhong, L., Wang, C., Xu, W. (2022).  ”Sulfone-based electrolytes for high energy density lithium-ion batteries”, Journal of Power Sources, 527 (-), -. DOI: 10.1016/j.jpowsour.2022.231171

Kestor, G., Emani, M., Li, D. (2022).  ”Message from the AI4S22 Workshop Chairs”, Proceedings of AI4S 2022: Artificial Intelligence and Machine Learning for Scientific Applications, Held in conjunction with SC 2022: The International Conference for High Performance Computing, Networking, Storage and Analysis, - (-), -. DOI: 10.1109/AI4S56813.2022.00004

Vasisht, S., Rahman, A., Ramachandran, T., Bhattacharya, A., Adetola, V. (2022).  ”Multi-fidelity Bayesian Optimization for Co-design of Resilient Cyber-Physical Systems”, Proceedings - 13th ACM/IEEE International Conference on Cyber-Physical Systems, ICCPS 2022, - (-), 298-299. DOI: 10.1109/ICCPS54341.2022.00040

Stetina, T.F., Ciavarella, A., Li, X., Wiebe, N. (2022).  ”Simulating Effective QED on Quantum Computers”, Quantum, 6 (-), -. DOI: 10.22331/Q-2022-01-18-622

Bohm Agostini, N., Curzel, S., Zhang, J., Limaye, A., Tan, C., Amatya, V., Minutoli, M., Castellana, V.G., Manzano, J., Brooks, D., Wei, G., Tumeo, A. (2022).  ”Bridging Python to Silicon: The SODA Toolchain”, IEEE Micro, - (-), 1-1. DOI: 10.1109/MM.2022.3178580

Sathanur, A., Tallent, N.R., Konsor, P., Koyanagi, K., McLaughlin, R., Olivas, J., Chynoweth, M. (2022).  ”QuaL2M: Learning Quantitative Performance of Latency-Sensitive Code”, Proceedings - 2022 IEEE 36th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2022, - (-), 913-923. DOI: 10.1109/IPDPSW55747.2022.00149

Fu, Y., Frazier, W.E., Choi, K.S., Li, L., Xu, Z., Joshi, V.V., Soulami, A. (2022).  ”Prediction of grain structure after thermomechanical processing of U-10Mo alloy using sensitivity analysis and machine learning surrogate model”, Scientific Reports, 12 (1), -. DOI: 10.1038/s41598-022-14731-8

Mukherjee, S., Nandanoori, S.P., Guan, S., Agarwal, K., Sinha, S., Kundu, S., Pal, S., Wu, Y., Vrabie, D.L., Choudhury, S. (2022).  ”Learning Distributed Geometric Koopman Operator for Sparse Networked Dynamical Systems”, Proceedings of Machine Learning Research, 198 (-), -. https://proceedings.mlr.press/v198/mukherjee22a.html

Kulkarni, S.S., Truster, T., Senor, D.J., Devanathan, R. (2022).  ”A crystal plasticity finite element method modeling of zircaloy with hydride phases based on scanning electron micrographs”, Proceedings of ASME 2022 17th International Manufacturing Science and Engineering Conference, MSEC 2022, 2 (-), -. DOI: 10.1115/MSEC2022-80224

Li, J., Tartakovsky, A.M. (2022).  ”Physics-informed Karhunen-Loéve and neural network approximations for solving inverse differential equation problems”, Journal of Computational Physics, 462 (-), -. DOI: 10.1016/j.jcp.2022.111230

Mutlu, E., Tian, R., Ren, B., Krishnamoorthy, S., Gioiosa, R., Pienaar, J., Kestor, G. (2022).  ”COMET: A Domain-Specific Compilation of High-Performance Computational Chemistry”, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 13149 (-), 87-103. DOI: 10.1007/978-3-030-95953-1_7

Ganguly, A.R., van Breukelen, B.M., Evers, M., Hendricks Franssen, H.-J., Illangasekare, T., Kumar, P., Steefel, C., Taylor, R.G. (2022).  ”Editorial: Frontiers in water: Rising stars 2021”, Frontiers in Water, 4 (-), -. DOI: 10.3389/frwa.2022.1033848

Chikkagoudar, S., Chatterjee, S., Bharadwaj, R., Ganguly, A., Kompella, S., Thorsen, D. (2022).  ”Assurance by Design for Cyber-physical Data-driven Systems”, IoT for Defense and National Security, - (-), 191-212. DOI: 10.1002/9781119892199.ch11

Huggins, W.J., Wan, K., McClean, J., O'Brien, T.E., Wiebe, N., Babbush, R. (2022).  ”Nearly Optimal Quantum Algorithm for Estimating Multiple Expectation Values”, Physical Review Letters, 129 (24), -. DOI: 10.1103/PhysRevLett.129.240501

Fu, Y., Bao, J., Singh, R.K., Zheng, R.F., Anderson-Cook, C.M., Bhat, K.S., Xu, Z. (2022).  ”The influence of random packed column parameters on the liquid holdup and interfacial area”, AIChE Journal, 68 (8), -. DOI: 10.1002/aic.17691

Mato, J., Tzeli, D., Xantheas, S.S. (2022).  ”The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca”, Journal of Chemical Physics, 157 (8), -. DOI: 10.1063/5.0094598

Pang, T., Savinov, V., Adachi, I., Aihara, H., Asner, D.M., Atmacan, H., Aulchenko, V., Aushev, T., Ayad, R., Babu, V., Behera, P., Belous, K., Bessner, M., Bhardwaj, V., Bhuyan, B., Bilka, T., Bobrov, A., Bodrov, D., Bonvicini, G., Borah, J., Bozek, A., Bračko, M., Branchini, P., Browder, T.E., Budano, A., Campajola, M., Červenkov, D., Chang, P., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., De Pietro, G., Dhamija, R., Di Capua, F., Dingfelder, J., DoleŽal, Z., Dong, T.V., Dossett, D., Dubey, S., Epifanov, D., Ferber, T., Frey, A., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Giri, A., Goldenzweig, P., Graziani, E., Gu, T., Gudkova, K., Hadjivasiliou, C., Halder, S., Hayasaka, K., Hayashii, H., Hedges, M.T., Hsu, C.-L., Iijima, T., Inami, K., Inguglia, G., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jang, E.-J., Jia, S., Jin, Y., Joo, K.K., Kahn, J., Kalita, D., Kaliyar, A.B., Kang, K.H., Karyan, G., Kawasaki, T., Kiesling, C., Kim, C.H., Kim, D.Y., Kim, K.-H., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korobov, A., Korpar, S., Kovalenko, E., KriŽan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kumar, R., Kumara, K., Kuzmin, A., Kwon, Y.-J., Lai, Y.-T., Lam, T., Lange, J.S., Lee, S.C., Li, C.H., Li, J., Li, L.K., Li, Y., Li Gioi, L., Libby, J., Lieret, K., Liventsev, D., Martini, A., Masuda, M., Matsuda, T., Matvienko, D., Meier, F., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mussa, R., Nakao, M., Natkaniec, Z., Natochii, A., Nayak, L., Niiyama, M., Nisar, N.K., Nishida, S., Ogawa, K., Ogawa, S., Ono, H., Oskin, P., Pakhlov, P., Pakhlova, G., Pardi, S., Park, H., Park, S.-H., Passeri, A., Patra, S., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sandilya, S., Sangal, A., Santelj, L., Sanuki, T., Schnell, G., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shen, C.P., Shiu, J.-G., Simon, F., Singh, J.B., Sokolov, A., Solovieva, E., Stanič, S., Starič, M., Strube, J.F., Sumihama, M., Sumiyoshi, T., Takizawa, M., Tamponi, U., Tanida, K., Taniguchi, N., Tenchini, F., Trabelsi, K., Uchida, M., Uno, K., Uno, S., Urquijo, P., Van Tonder, R., Varner, G., Vinokurova, A., Waheed, E., Wang, E., Wang, M.-Z., Wang, X.L., Watanabe, M., Watanuki, S., Won, E., Xu, X., Yabsley, B.D., Yan, W., Ye, H., Yelton, J., Yin, J.H., Yuan, C.Z., Zhai, Y., Zhang, Z.P., Zhilich, V., Zhukova, V. (2022).  ”Search for the decay B0s→η′K0S”, Physical Review D, 106 (5), -. DOI: 10.1103/PhysRevD.106.L051103

Li, Z., Menon, H., Mohror, K., Liu, S., Guo, L., Bremer, P., Pascucci, V. (2022).  ”A Visual Comparison of Silent Error Propagation”, IEEE Transactions on Visualization and Computer Graphics, - (-), 1-15. DOI: 10.1109/TVCG.2022.3230636

Curzel, S., Agostini, N.B., Castellana, V.G., Minutoli, M., Limaye, A., Manzano, J., Zhang, J., Brooks, D., Wei, G.-Y., Ferrandi, F., Tumeo, A. (2022).  ”End-to-End Synthesis of Dynamically Controlled Machine Learning Accelerators”, IEEE Transactions on Computers, 71 (12), 3074-3087. DOI: 10.1109/TC.2022.3211430

Vila, F.D., Kowalski, K., Peng, B., Kas, J.J., Rehr, J.J. (2022).  ”Real-Time Equation-of-Motion CCSD Cumulant Green's Function”, Journal of Chemical Theory and Computation, 18 (3), 1799-1807. DOI: 10.1021/acs.jctc.1c01179

Herman, K.M., Stone, A.J., Xantheas, S.S. (2022).  ”A classical model for three-body interactions in aqueous ionic systems”, Journal of Chemical Physics, 157 (2), -. DOI: 10.1063/5.0095739

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2021

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Yang, X., Tartakovsky, G., Tartakovsky, A.M. (2021).  ”PHYSICS INFORMATION AIDED KRIGING USING STOCHASTIC SIMULATION MODELS”, SIAM Journal on Scientific Computing, 43 (6), A3862-A3891. DOI: 10.1137/20M1331585

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Sakr, S., Bonifati, A., Voigt, H., Iosup, A., Ammar, K., Angles, R., Aref, W., Arenas, M., Besta, M., Boncz, P.A., Daudjee, K., Valle, E.D., Dumbrava, S., Hartig, O., Haslhofer, B., Hegeman, T., Hidders, J., Hose, K., Iamnitchi, A., Kalavri, V., Kapp, H., Martens, W., Özsu, M.T., Peukert, E., Plantikow, S., Ragab, M., Ripeanu, M.R., Salihoglu, S., Schulz, C., Selmer, P., Sequeda, J.F., Shinavier, J., Szárnyas, G., Tommasini, R., Tumeo, A., Uta, A., Varbanescu, A.L., Wu, H.-Y., Yakovets, N., Yan, D., Yoneki, E. (2021).  ”The future is big graphs”, Communications of the ACM, 64 (9), 62-71. DOI: 10.1145/3434642

Bhattacharya, A., Vasisht, S., Adetola, V., Huang, S., Sharma, H., Vrabie, D.L. (2021).  ”Control co-design of commercial building chiller plant using Bayesian optimization”, Energy and Buildings, 246 (-), -. DOI: 10.1016/j.enbuild.2021.111077

Wang, T., Li, L., Pallaka, M.R., Das, H., Whalen, S., Soulami, A., Upadhyay, P., Kappagantula, K.S. (2021).  ”Mechanical and microstructural characterization of AZ31 magnesium‑carbon fiber reinforced polymer joint obtained by friction stir interlocking technique”, Materials and Design, 198 (-), -. DOI: 10.1016/j.matdes.2020.109305

Cupeiro Figueroa, I., Cimmino, M., Drgoňa, J., Helsen, L. (2021).  ”Fluid temperature predictions of geothermal borefields using load estimations via state observers”, Journal of Building Performance Simulation, 14 (1), 1-19. DOI: 10.1080/19401493.2020.1838612

Lou, Q., Meng, X., Karniadakis, G.E. (2021).  ”Physics-informed neural networks for solving forward and inverse flow problems via the Boltzmann-BGK formulation”, Journal of Computational Physics, 447 (-), -. DOI: 10.1016/j.jcp.2021.110676

Li, A., Su, S. (2021).  ”Accelerating Binarized Neural Networks via Bit-Tensor-Cores in Turing GPUs”, IEEE Transactions on Parallel and Distributed Systems, 32 (7), 1878-1891. DOI: 10.1109/TPDS.2020.3045828

Curzel, S., Agostini, N.B., Song, S., Dagli, I., Limaye, A., Tan, C., Minutoli, M., Castellana, V.G., Amatya, V., Manzano, J., Das, A., Ferrandi, F., Tumeo, A. (2021).  “Automated Generation of Integrated Digital and Spiking Neuromorphic Machine Learning Accelerators”, IEEE/ACM International Conference on Computer-Aided Design, Digest of Technical Papers, ICCAD, 2021- (-), -. DOI: 10.1109/ICCAD51958.2021.9643474

Guo, L., Li, D., Laguna, I. (2021).  “PARIS: Predicting application resilience using machine learning”, Journal of Parallel and Distributed Computing, 152 (-), 111-124. DOI: 10.1016/j.jpdc.2021.02.015

Park, S.-H., Kwon, Y.-J., Adachi, I., Aihara, H., Al Said, S., Asner, D.M., Atmacan, H., Aushev, T., Ayad, R., Babu, V., Behera, P., Bennett, J., Bessner, M., Bhardwaj, V., Bhuyan, B., Bilka, T., Biswal, J., Bonvicini, G., Bozek, A., Bračko, M., Browder, T.E., Campajola, M., Cao, L., Červenkov, D., Chang, M.-C., Chang, P., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., Dash, N., De Nardo, G., Di Capua, F., Dingfelder, J., Doležal, Z., Dong, T.V., Eidelman, S., Epifanov, D., Ferlewicz, D., Fulsom, B.G., Garg, R., Gaur, V., Garmash, A., Giri, A., Goldenzweig, P., Guan, Y., Gudkova, K., Hadjivasiliou, C., Hara, T., Hartbrich, O., Hayasaka, K., Hayashii, H., Hedges, M.T., Hernandez Villanueva, M., Hou, W.-S., Hsu, C.-L., Huang, K., Iijima, T., Inami, K., Inguglia, G., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jaegle, I., Jang, E.-J., Jeon, H.B., Jia, S., Jin, Y., Joo, C.W., Joo, K.K., Kang, K.H., Karyan, G., Kawasaki, T., Kiesling, C., Kim, D.Y., Kim, K.-H., Kim, S.H., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korpar, S., Kotchetkov, D., Križan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kumar, M., Kumara, K., Lalwani, K., Lee, I.S., Lee, S.C., Li, C.H., Li, J., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liptak, Z., Liventsev, D., Luo, T., MacNaughton, J., MacQueen, C., Masuda, M., Matsuda, T., Matvienko, D., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mohanty, S., Mori, T., Moser, H.-G., Mrvar, M., Mussa, R., Nakao, M., Natkaniec, Z., Natochii, A., Nayak, L., Nayak, M., Niiyama, M., Nisar, N.K., Nishida, S., Ogawa, S., Ono, H., Onuki, Y., Oskin, P., Pakhlov, P., Pakhlova, G., Pardi, S., Park, C.W., Park, H., Patra, S., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Ritter, M., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sakai, Y., Sandilya, S., Sangal, A., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schueler, J., Schwanda, C., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shen, C.P., Shiu, J.-G., Sokolov, A., Solovieva, E., Stanič, S., Starič, M., Stottler, Z.S., Strube, J.F., Sumihama, M., Sumisawa, K., Sumiyoshi, T., Sutcliffe, W., Takizawa, M., Tanida, K., Tenchini, F., Uchida, M., Uglov, T., Unno, Y., Uno, S., Urquijo, P., Vahsen, S.E., Van Tonder, R., Varner, G., Varvell, K.E., Vinokurova, A., Vorobyev, V., Waheed, E., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Watanabe, M., Watanuki, S., Wehle, S., Won, E., Xu, X., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yelton, J., Yin, J.H., Yusa, Y., Zhang, Z.P., Zhilich, V., Zhukova, V., Zhulanov, V. (2021).  “Search for the dark photon in B⁰ → A′A′, A′ → e⁺e⁻, μ⁺μ⁻, and π⁺π⁻ decays at Belle”, Journal of High Energy Physics, 2021 (4), -. DOI: 10.1007/JHEP04(2021)191

Bedaque, P., Boehnlein, A., Cromaz, M., Diefenthaler, M., Elouadrhiri, L., Horn, T., Kuchera, M., Lawrence, D., Lee, D., Lidia, S., McKeown, R., Melnitchouk, W., Nazarewicz, W., Orginos, K., Roblin, Y., Scott Smith, M., Schram, M., Wang, X.-N. (2021).  “A.I. for nuclear physics”, European Physical Journal A, 57 (3), -. DOI: 10.1140/epja/s10050-020-00290-x

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Hagen, L.H., Brooke, C.G., Shaw, C.A., Norbeck, A.D., Piao, H., Arntzen, M.Ø., Olson, H.M., Copeland, A., Isern, N., Shukla, A., Roux, S., Lombard, V., Henrissat, B., O’Malley, M.A., Grigoriev, I.V., Tringe, S.G., Mackie, R.I., Pasa-Tolic, L., Pope, P.B., Hess, M. (2021).  “Proteome specialization of anaerobic fungi during ruminal degradation of recalcitrant plant fiber”, ISME Journal, 15 (2), 421-434. DOI: 10.1038/s41396-020-00769-x

Blum, D., Arroyo, J., Huang, S., Drgoňa, J., Jorissen, F., Walnum, H.T., Chen, Y., Benne, K., Vrabie, D., Wetter, M., Helsen, L. (2021).  “Building optimization testing framework (BOPTEST) for simulation-based benchmarking of control strategies in buildings”, Journal of Building Performance Simulation, 14 (5), 586-610. DOI: 10.1080/19401493.2021.1986574

Song, Q., Ma, H., Lin, P., Wu, Y. (2021).  “GRIP: Constraint-based Explanation of Missing Answers for Graph Queries”, Proceedings of the ACM SIGMOD International Conference on Management of Data, - (-), 2779-2783. DOI: 10.1145/3448016.3452758

Castellana, V.G., Tumeo, A., Ferrandi, F. (2021).  “High-level synthesis of parallel specifications coupling static and dynamic controllers”, Proceedings - 2021 IEEE 35th International Parallel and Distributed Processing Symposium, IPDPS 2021, - (-), 192-202. DOI: 10.1109/IPDPS49936.2021.00028

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Herman, K.M., Heindel, J.P., Xantheas, S.S. (2021).  “The many-body expansion for aqueous systems revisited: III. Hofmeister ion-water interactions”, Physical Chemistry Chemical Physics, 23 (19), 11196-11210. DOI: 10.1039/d1cp00409c

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Ghosh, S., Guo, Y., Balaji, P., Gebremedhin, A.H. (2021).  “RMACXX: An efficient high-level C++ interface over MPI-3 RMA”, Proceedings - 21st IEEE/ACM International Symposium on Cluster, Cloud and Internet Computing, CCGrid 2021, - (-), 143-155. DOI: 10.1109/CCGrid51090.2021.00024

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Ghosh, S., Tallent, N.R., Minutoli, M., Halappanavar, M., Peri, R., Kalyanaraman, A. (2021).  “Single-node partitioned-memory for huge graph analytics: Cost and performance trade-offs”, International Conference for High Performance Computing, Networking, Storage and Analysis, SC, - (-), -. DOI: 10.1145/3458817.3476156

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Gao, P., Wu, H., Zhang, X., Jia, H., Kim, J.-M., Engelhard, M.H., Niu, C., Xu, Z., Zhang, J.-G., Xu, W. (2021).  “Optimization of Magnesium-Doped Lithium Metal Anode for High Performance Lithium Metal Batteries through Modeling and Experiment”, Angewandte Chemie - International Edition, 60 (30), 16506-16513. DOI: 10.1002/anie.202103344

Zhang, L., Leach, M., Bae, Y., Cui, B., Bhattacharya, S., Lee, S., Im, P., Adetola, V., Vrabie, D., Kuruganti, T. (2021).  “Sensor impact evaluation and verification for fault detection and diagnostics in building energy systems: A review”, Advances in Applied Energy, 3 (-), -. DOI: 10.1016/j.adapen.2021.100055

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Li, S., Olszta, M., Li, L., Gwalani, B., Soulami, A., Powell, C.A., Mathaudhu, S., Devaraj, A., Wang, C. (2021).  “In-situ TEM observation of shear induced microstructure evolution in Cu-Nb alloy”, Scripta Materialia, 205 (-), -. DOI: 10.1016/j.scriptamat.2021.114214

Ramirez-Tamayo, D., Soulami, A., Gupta, V., Restrepo, D., Montoya, A., Millwater, H. (2021).  “A complex-variable cohesive finite element subroutine to enable efficient determination of interfacial cohesive material parameters”, Engineering Fracture Mechanics, 247 (-), -. DOI: 10.1016/j.engfracmech.2021.107638

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Cao, L., Sutcliffe, W., Van Tonder, R., Bernlochner, F.U., Adachi, I., Aihara, H., Al Said, S., Asner, D.M., Atmacan, H., Aushev, T., Ayad, R., Babu, V., Bauer, M., Behera, P., Belous, K., Bennett, J., Bessner, M., Bhardwaj, V., Bilka, T., Biswal, J., Bonvicini, G., Bozek, A., Bračko, M., Browder, T.E., Campajola, M., Červenkov, D., Chang, M.-C., Chang, P., Chekelian, V., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., Dash, N., De Nardo, G., Di Capua, F., Dingfelder, J., DoleŽal, Z., Dong, T.V., Dubey, S., Eidelman, S., Epifanov, D., Ferber, T., Ferlewicz, D., Frey, A., Fulsom, B.G., Garg, R., Gaur, V., Garmash, A., Giri, A., Goldenzweig, P., Guan, Y., Hadjivasiliou, C., Hara, T., Hartbrich, O., Hayasaka, K., Hayashii, H., Hedges, M.T., Hernandez Villanueva, M., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jang, E.-J., Jeon, H.B., Jia, S., Jin, Y., Joo, C.W., Joo, K.K., Kang, K.H., Karyan, G., Kawasaki, T., Kichimi, H., Kiesling, C., Kim, B.H., Kim, C.H., Kim, D.Y., Kim, H.J., Kim, K.-H., Kim, S.H., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korobov, A., Korpar, S., Kotchetkov, D., Kovalenko, E., KriŽan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kumar, M., Kumar, R., Kumara, K., Kuzmin, A., Kwon, Y.-J., Lalwani, K., Lange, J.S., Lee, I.S., Lee, S.C., Lewis, P., Li, C.H., Li, J., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liptak, Z., Liventsev, D., Macnaughton, J., Macqueen, C., Masuda, M., Matsuda, T., Matvienko, D., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Moon, T.J., Mori, T., Mrvar, M., Mussa, R., Nakao, M., Natkaniec, Z., Natochii, A., Nayak, L., Nayak, M., Niiyama, M., Nisar, N.K., Nishida, S., Nishimura, K., Ogawa, S., Ono, H., Onuki, Y., Oskin, P., Pakhlov, P., Pakhlova, G., Pang, T., Pardi, S., Park, C.W., Park, H., Park, S.-H., Patra, S., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Ritter, M., Röhrken, M., Rostomyan, A., Rout, N., Rozanska, M., Russo, G., Sahoo, D., Sakai, Y., Sandilya, S., Sangal, A., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schueler, J., Schwanda, C., Schwartz, A.J., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shen, C.P., Shiu, J.-G., Simon, F., Sokolov, A., Solovieva, E., Stanič, S., Starič, M., Stottler, Z.S., Strube, J.F., Sumiyoshi, T., Takizawa, M., Tamponi, U., Tanida, K., Tenchini, F., Trabelsi, K., Uchida, M., Uglov, T., Unno, Y., Uno, S., Urquijo, P., Usov, Y., Vahsen, S.E., Varner, G., Varvell, K.E., Vinokurova, A., Vorobyev, V., Vossen, A., Waheed, E., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Watanabe, M., Watanuki, S., Wehle, S., Wiechczynski, J., Won, E., Xu, X., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yin, J.H., Yuan, C.Z., Yusa, Y., Zhang, Z.P., Zhilich, V., Zhukova, V., Zhulanov, V. (2021).  “Measurements of partial branching fractions of inclusive B →X_uℓ+ν_ℓ decays with hadronic tagging”, Physical Review D, 104 (1), -. DOI: 10.1103/PhysRevD.104.012008

Roth, J., Barajas-Solano, D.A., Stinis, P., Weare, J., Anitescu, M. (2021).  “A kinetic monte carlo approach for simulating cascading transmission line failure”, Multiscale Modeling and Simulation, 19 (1), 208-241. DOI: 10.1137/19M1306865

Poudel, S., Black, G.D., Reiman, A.P. (2021).  “An Application for Validation of Power Distribution System Models in an ADMS Environment”, IEEE Power and Energy Society General Meeting, 2021- (-), -. DOI: 10.1109/PESGM46819.2021.9637894

Chen, X., Yang, L., Duan, J., Karniadakis, G.E.M. (2021).  “Solving inverse stochastic problems from discrete particle observations using the fokker-planck equation and physics-informed neural networks”, SIAM Journal on Scientific Computing, 43 (3), B811-B830. DOI: 10.1137/20M1360153

Kowalski, K., Bair, R., Bauman, N.P., Boschen, J.S., Bylaska, E.J., Daily, J., De Jong, W.A., Dunning, T., Govind, N., Harrison, R.J., Keçeli, M., Keipert, K., Krishnamoorthy, S., Kumar, S., Mutlu, E., Palmer, B., Panyala, A., Peng, B., Richard, R.M., Straatsma, T.P., Sushko, P., Valeev, E.F., Valiev, M., Van Dam, H.J.J., Waldrop, J.M., Williams-Young, D.B., Yang, C., Zalewski, M., Windus, T.L. (2021).  “From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape”, Chemical Reviews, 121 (8), 4962-4998. DOI: 10.1021/acs.chemrev.0c00998

Huang, S., Zuo, W., Vrabie, D., Xu, R. (2021).  “Modelica-based system modeling for studying control-related faults in chiller plants and boiler plants serving large office buildings”, Journal of Building Engineering, 44 (-), -. DOI: 10.1016/j.jobe.2021.102654

Li, J., Hu, S., Li, Y., Shi, S.-Q. (2021).  “Evolution mechanisms and kinetics of porous structures during chemical dealloying of binary alloys”, Microporous and Mesoporous Materials, 320 (-), -. DOI: 10.1016/j.micromeso.2021.111092

Mamun, O., Wenzlick, M., Sathanur, A., Hawk, J., Devanathan, R. (2021).  “Machine learning augmented predictive and generative model for rupture life in ferritic and austenitic steels”, npj Materials Degradation, 5 (1), -. DOI: 10.1038/s41529-021-00166-5

Lee, J., Berry, D.W., Gidney, C., Huggins, W.J., McClean, J.R., Wiebe, N., Babbush, R. (2021).  “Even More Efficient Quantum Computations of Chemistry through Tensor Hypercontraction”, PRX Quantum, 2 (3), -. DOI: 10.1103/PRXQuantum.2.030305

Xiang, L., Khan, A., Serra, E., Halappanavar, M., Sukumaran-Rajam, A. (2021).  “CuTS: Scaling Subgraph Isomorphism on Distributed Multi-GPU Systems Using Trie Based Data Structure”, International Conference for High Performance Computing, Networking, Storage and Analysis, SC, - (-), -. DOI: 10.1145/3458817.3476214

Geng, T., Wu, C., Zhang, Y., Tan, C., Xie, C., You, H., Herbordt, M.C., Lin, Y., Li, A. (2021).  “I-GCN: A graph convolutional network accelerator with runtime locality enhancement through islandization”, Proceedings of the Annual International Symposium on Microarchitecture, MICRO, - (-), 1051-1063. DOI: 10.1145/3466752.3480113

Tian, R., Guo, L., Li, J., Ren, B., Kestor, G. (2021).  “A High Performance Sparse Tensor Algebra Compiler in MLIR”, Proceedings of LLVM-HPC 2021: 7th Annual Workshop on the LLVM Compiler Infrastructure in HPC, Held in conjunction with SC 2021: The International Conference for High Performance Computing, Networking, Storage and Analysis, - (-), 27-38. DOI: 10.1109/LLVMHPC54804.2021.00009

Kulkarni, S.S., Gupta, V., Senor, D., Truster, T., Soulami, A., Devanathan, R. (2021).  “A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates”, Computational Materials Science, 197 (-), -. DOI: 10.1016/j.commatsci.2021.110654

Xie, C., Chen, J., Firoz, J., Li, J., Song, S.L., Barker, K., Raugas, M., Li, A. (2021).  “Fast and Scalable Sparse Triangular Solver for Multi-GPU Based HPC Architectures”, ACM International Conference Proceeding Series, - (-), -. DOI: 10.1145/3472456.3472478

Gao, P., Yang, X., Tang, Y.-H., Zheng, M., Andersen, A., Murugesan, V., Hollas, A., Wang, W. (2021).  “Graphical Gaussian process regression model for aqueous solvation free energy prediction of organic molecules in redox flow batteries”, Physical Chemistry Chemical Physics, 23 (43), 24892-24904. DOI: 10.1039/d1cp04475c

Peng, H., Zhou, S., Weitze, S., Li, J., Islam, S., Geng, T., Li, A., Zhang, W., Song, M., Xie, M., Liu, H., Ding, C. (2021).  “Binary complex neural network acceleration on FPGA: (Invited paper)”, Proceedings of the International Conference on Application-Specific Systems, Architectures and Processors, 2021- (-), 85-92. DOI: 10.1109/ASAP52443.2021.00021

Aksoy, S.G., Kempton, M., Young, S.J. (2021).  “Spectral Threshold for Extremal Cyclic Edge-Connectivity”, Graphs and Combinatorics, 37 (6), 2079-2093. DOI: 10.1007/s00373-021-02333-6

Kulkarni, S.S., Choi, K.S., Kuang, W., Menon, N., Mills, B., Soulami, A., Simmons, K. (2021).  “Damage evolution in polymer due to exposure to high-pressure hydrogen gas”, International Journal of Hydrogen Energy, 46 (36), 19001-19022. DOI: 10.1016/j.ijhydene.2021.03.035

Limaye, A., Tumeo, A., Adegbija, T. (2021).  “Energy characterization of graph workloads”, Sustainable Computing: Informatics and Systems, 29 (-), -. DOI: 10.1016/j.suscom.2020.100465

Stein, S.A., Baheri, B., Chen, D., Mao, Y., Guan, Q., Li, A., Fang, B., Xu, S. (2021).  “QuGAN: A Quantum State Fidelity based Generative Adversarial Network”, Proceedings - 2021 IEEE International Conference on Quantum Computing and Engineering, QCE 2021, - (-), 71-81. DOI: 10.1109/QCE52317.2021.00023

He, Q., Laurence, D.W., Lee, C.-H., Chen, J.-S. (2021).  “Manifold learning based data-driven modeling for soft biological tissues”, Journal of Biomechanics, 117 (-), -. DOI: 10.1016/j.jbiomech.2020.110124

Liu, J., Ren, J., Gioiosa, R., Li, D., Li, J. (2021).  “Sparta: High-performance, element-wise sparse tensor contraction on heterogeneous memory”, Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP, - (-), 318-333. DOI: 10.1145/3437801.3441581

Purohit, S., Mackey, P., Zucker, J.D., Bohra, A., Deshmukh, R.D., Chin, G. (2021).  “QLiG: Query Like a Graph For Subgraph Matching”, Proceedings - 2021 IEEE 4th International Conference on Artificial Intelligence and Knowledge Engineering, AIKE 2021, - (-), 121-128. DOI: 10.1109/AIKE52691.2021.00025

Liu, J., Li, D., Gioiosa, R., Li, J. (2021).  “Athena: High-performance sparse tensor contraction sequence on heterogeneous memory”, Proceedings of the International Conference on Supercomputing, - (-), 190-202. DOI: 10.1145/3447818.3460355

Nandanoori, S.P., Pal, S., Sinha, S., Kundu, S., Agarwal, K., Choudhury, S. (2021).  “Data-driven Distributed Learning of Multi-agent Systems: A Koopman Operator Approach”, Proceedings of the IEEE Conference on Decision and Control, 2021- (-), 5059-5066. DOI: 10.1109/CDC45484.2021.9682872

Kestor, G., Li, D., Markidis, S. (2021).  “Welcome Message from AI4S Workshop”, Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2021- (-), -. DOI: 10.1109/Cluster48925.2021.00014

Peng, G.C.Y., Alber, M., Buganza Tepole, A., Cannon, W.R., De, S., Dura-Bernal, S., Garikipati, K., Karniadakis, G., Lytton, W.W., Perdikaris, P., Petzold, L., Kuhl, E. (2021).  “Multiscale Modeling Meets Machine Learning: What Can We Learn?”, Archives of Computational Methods in Engineering, 28 (3), 1017-1037. DOI: 10.1007/s11831-020-09405-5

Tan, C., Agostini, N.B., Zhang, J., Minutoli, M., Castellana, V.G., Xie, C., Geng, T., Li, A., Barker, K., Tumeo, A. (2021).  “OpenCGRA: Democratizing coarse-grained reconfigurable arrays”, Proceedings of the International Conference on Application-Specific Systems, Architectures and Processors, 2021- (-), 149-155. DOI: 10.1109/ASAP52443.2021.00029

Feng, B., Wang, Y., Geng, T., Li, A., Ding, Y. (2021).  “APNN-TC: Accelerating arbitrary precision neural networks on ampere GPU tensor cores”, International Conference for High Performance Computing, Networking, Storage and Analysis, SC, - (-), -. DOI: 10.1145/3458817.3476157

Gwalani, B., Fu, W., Olszta, M., Silverstein, J., Yadav, D.R., Manimunda, P., Guzman, A., Xie, K., Rohatgi, A., Mathaudhu, S., Powell, C.A., Sushko, P.V., Li, Y., Devaraj, A. (2021).  “Lattice misorientation evolution and grain refinement in Al-Si alloys under high-strain shear deformation”, Materialia, 18 (-), -. DOI: 10.1016/j.mtla.2021.101146

Reyes, B., Howard, A.A., Perdikaris, P., Tartakovsky, A.M. (2021).  “Learning unknown physics of non-Newtonian fluids”, Physical Review Fluids, 6 (7), -. DOI: 10.1103/PhysRevFluids.6.073301

Roy, S., Aksoy, S.G., Sarker, S., Wang, P., Young, S.J. (2021).  “Structural Controllability Assessment for Inverter-Based Microgrids”, 2021 North American Power Symposium, NAPS 2021, - (-), -. DOI: 10.1109/NAPS52732.2021.9654687

Tzeli, D., Raugei, S., Xantheas, S.S. (2021).  “Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH₃)₄]^q, q = -2, -1, +2, +3”, Journal of Chemical Theory and Computation, 17 (10), 6080-6091. DOI: 10.1021/acs.jctc.1c00485

Mansouri, K., Karmaus, A.L., Fitzpatrick, J., Patlewicz, G., Pradeep, P., Alberga, D., Alepee, N., Allen, T.E.H., Allen, D., Alves, V.M., Andrade, C.H., Auernhammer, T.R., Ballabio, D., Bell, S., Benfenati, E., Bhattacharya, S., Bastos, J.V., Boyd, S., Brown, J.B., Capuzzi, S.J., Chushak, Y., Ciallella, H., Clark, A.M., Consonni, V., Daga, P.R., Ekins, S., Farag, S., Fedorov, M., Fourches, D., Gadaleta, D., Gao, F., Gearhart, J.M., Goh, G., Goodman, J.M., Grisoni, F., Grulke, C.M., Hartung, T., Hirn, M., Karpov, P., Korotcov, A., Lavado, G.J., Lawless, M., Li, X., Luechtefeld, T., Lunghini, F., Mangiatordi, G.F., Marcou, G., Marsh, D., Martin, T., Mauri, A., Muratov, E.N., Myatt, G.J., Nguyen, D.-T., Nicolotti, O., Note, R., Pande, P., Parks, A.K., Peryea, T., Polash, A.H., Rallo, R., Roncaglioni, A., Rowlands, C., Ruiz, P., Russo, D.P., Sayed, A., Sayre, R., Sheils, T., Siegel, C., Silva, A.C., Simeonov, A., Sosnin, S., Southall, N., Strickland, J., Tang, Y., Teppen, B., Tetko, I.V., Thomas, D., Tkachenko, V., Todeschini, R., Toma, C., Tripodi, I., Trisciuzzi, D., Tropsha, A., Varnek, A., Vukovic, K., Wang, Z., Wang, L., Waters, K.M., Wedlake, A.J., Wijeyesakere, S.J., Wilson, D., Xiao, Z., Yang, H., Zahoranszky-Kohalmi, G., Zakharov, A.V., Zhang, F.F., Zhang, Z., Zhao, T., Zhu, H., Zorn, K.M., Casey, W., Kleinstreuer, N.C. (2021).  “CATMoS: Collaborative acute toxicity modeling suite”, Environmental Health Perspectives, 129 (4), -. DOI: 10.1289/EHP8495

Jian, G., Sarathi, R.S., Burghardt, J., Bonneville, A., Gupta, V., Fernandez, C.A., Garrison, G. (2021).  “Evaluation of a Greener Fracturing Fluid for Geothermal Energy Recovery: An Experimental and Simulation Study”, Geothermics, 97 (-), -. DOI: 10.1016/j.geothermics.2021.102266

Xie, C., Li, X., Hu, Y., Peng, H., Taylor, M., Song, S.L. (2021).  “Q-VR: System-level design for future mobile collaborative virtual reality”, International Conference on Architectural Support for Programming Languages and Operating Systems - ASPLOS, - (-), 587-599. DOI: 10.1145/3445814.3446715

Liu, J., Yang, J., Zeng, X.C., Xantheas, S.S., Yagi, K., He, X. (2021).  “Towards complete assignment of the infrared spectrum of the protonated water cluster H⁺(H₂O)₂₁”, Nature Communications, 12 (1), -. DOI: 10.1038/s41467-021-26284-x

Peng, B., Bauman, N.P., Gulania, S., Kowalski, K. (2021).  “Coupled cluster Green's function: Past, present, and future”, Annual Reports in Computational Chemistry, 17 (-), 23-53. DOI: 10.1016/bs.arcc.2021.08.002

Fang, B., Wang, D., Jin, S., Koziol, Q., Zhang, Z., Guan, Q., Byna, S., Krishnamoorthy, S., Tao, D. (2021).  “Characterizing Impacts of Storage Faults on HPC Applications: A Methodology and Insights”, Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2021- (-), 409-420. DOI: 10.1109/Cluster48925.2021.00048

Vasisht, S., Bhattacharya, A., Huang, S., Sharma, H., Adetola, V., Vrabie, D. (2021).  “Co-Design of Commercial Building HVAC using Bayesian Optimization”, Proceedings of the American Control Conference, 2021- (-), 366-372. DOI: 10.23919/ACC50511.2021.9483129

Zhou, M., Abdali, S.H., Dilworth, D., Liu, L., Cole, B., Malhan, N., Ahkami, A.H., Winkler, T.E., Hollingsworth, J., Sievert, J., Dahlberg, J., Hutmacher, R., Madera, M., Owiti, J.A., Hixson, K.K., Lemaux, P.G., Jansson, C., Paša-Tolić, L. (2021).  “Isolation of histone from sorghum leaf tissue for top down mass spectrometry profiling of potential epigenetic markers”, Journal of Visualized Experiments, 2021 (169), -. DOI: 10.3791/61707

Takeda, N., Hirata, K., Tsuruta, K., Santis, G.D., Xantheas, S.S., Ishiuchi, S.-I., Fujii, M. (2021).  “Gas phase protonated nicotine is a mixture of pyridine- and pyrrolidine-protonated conformers: implications for its native structure in the nicotinic acetylcholine receptor”, Physical Chemistry Chemical Physics, 24 (10), 5786-5793. DOI: 10.1039/d1cp05175j

Tan, C., Xie, C., Li, A., Barker, K.J., Tumeo, A. (2021).  “AURORA: Automated Refinement of Coarse-Grained Reconfigurable Accelerators”, Proceedings -Design, Automation and Test in Europe, DATE, 2021- (-), 1388-1393. DOI: 10.23919/DATE51398.2021.9473955

He, X., He, Q., Chen, J.-S. (2021).  “Deep autoencoders for physics-constrained data-driven nonlinear materials modeling”, Computer Methods in Applied Mechanics and Engineering, 385 (-), -. DOI: 10.1016/j.cma.2021.114034

Ashtari Esfahani, A., Betancourt, M., Bogorad, Z., Böser, S., Buzinsky, N., Cervantes, R., Claessens, C., De Viveiros, L., Fertl, M., Formaggio, J.A., Gladstone, L., Grando, M., Guigue, M., Hartse, J., Heeger, K.M., Huyan, X., Johnston, J., Jones, A.M., Kazkaz, K., Laroque, B.H., Lindman, A., Mohiuddin, R., Monreal, B., Nikkel, J.A., Novitski, E., Oblath, N.S., Ottiger, M., Pettus, W., Robertson, R.G.H., Rybka, G., Saldaña, L., Schram, M., Sibille, V., Slocum, P.L., Sun, Y.-H., Surukuchi, P.T., Tedeschi, J.R., Telles, A.B., Thomas, M., Thümmler, T., Tvrznikova, L., Vandevender, B.A., Weiss, T.E., Wendler, T., Zayas, E., Ziegler, A. (2021).  “Bayesian analysis of a future β decay experiment's sensitivity to neutrino mass scale and ordering”, Physical Review C, 103 (6), -. DOI: 10.1103/PhysRevC.103.065501

Acer, S., Azad, A., Boman, E.G., Buluç, A., Devine, K.D., Ferdous, S.M., Gawande, N., Ghosh, S., Halappanavar, M., Kalyanaraman, A., Khan, A., Minutoli, M., Pothen, A., Rajamanickam, S., Selvitopi, O., Tallent, N.R., Tumeo, A. (2021).  “EXAGRAPH: Graph and combinatorial methods for enabling exascale applications”, International Journal of High Performance Computing Applications, 35 (6), 553-571. DOI: 10.1177/10943420211029299

Purohit, S., Van, N., Chin, G. (2021).  “Semantic Property Graph for Scalable Knowledge Graph Analytics”, Proceedings - 2021 IEEE International Conference on Big Data, Big Data 2021, - (-), 2672-2677. DOI: 10.1109/BigData52589.2021.9671547

Tumeo, A., Minutoli, M., Feo, J., Castellana, V.G. (2021).  “Message from the Workshop Chairs”, Proceedings of IA3 2021: Workshop on Irregular Applications: Architectures and Algorithms, Held in conjunction with SC 2021: The International Conference for High Performance Computing, Networking, Storage and Analysis, - (-), -. DOI: 10.1109/IA354616.2021.00004

Yang, L., Meng, X., Karniadakis, G.E. (2021).  “B-PINNs: Bayesian physics-informed neural networks for forward and inverse PDE problems with noisy data”, Journal of Computational Physics, 425 (-), -. DOI: 10.1016/j.jcp.2020.109913

Lee, K., Trask, N., Stinis, P. (2021).  “Machine learning structure preserving brackets for forecasting irreversible processes”, Advances in Neural Information Processing Systems, 7 (-), 5696-5707. DOI: 10.48550/arXiv.2106.12619

Lansing, C., Levin, M., Sivaraman, C., Fao, R., Driscoll, F. (2021).  “Tsdat: An Open-Source Data Standardization Framework for Marine Energy and beyond”, Oceans Conference Record (IEEE), 2021- (-), -. DOI: 10.23919/OCEANS44145.2021.9706101

Wu, H., Gao, P., Jia, H., Zou, L., Zhang, L., Cao, X., Engelhard, M.H., Bowden, M.E., Ding, M.S., Hu, J., Hu, D., Burton, S.D., Xu, K., Wang, C., Zhang, J.-G., Xu, W. (2021).  “A Polymer-in-Salt Electrolyte with Enhanced Oxidative Stability for Lithium Metal Polymer Batteries”, ACS Applied Materials and Interfaces, 13 (27), 31583-31593. DOI: 10.1021/acsami.1c04637

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Heindel, J.P., Herman, K.M., Aprà, E., Xantheas, S.S. (2021).  “Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH₄, CO₂, and H₂S in (H₂O)₂₀Cages”, Journal of Physical Chemistry Letters, 12 (31), 7574-7582. DOI: 10.1021/acs.jpclett.1c01884

Song, Q., Lin, P., Ma, H., Wu, Y. (2021).  “Explaining missing data in graphs: A constraint-based approach”, Proceedings - International Conference on Data Engineering, 2021- (-), 1476-1487. DOI: 10.1109/ICDE51399.2021.00131

Kassianov, E., Cromwell, E., Monroe, J., Riihimaki, L.D., Flynn, C., Barnard, J., Michalsky, J.J., Hodges, G., Shi, Y., Comstock, J.M. (2021).  “Harmonized and high-quality datasets of aerosol optical depth at a US continental site, 1997–2018”, Scientific Data, 8 (1), -. DOI: 10.1038/s41597-021-00866-2

Bakker, C., Bhattacharya, A., Chatterjee, S., Vrabie, D.L. (2021).  “Metagames and Hypergames for Deception-Robust Control”, ACM Transactions on Cyber-Physical Systems, 5 (3), -. DOI: 10.1145/3439430

Dutta, S.B., Naghibijouybari, H., Abu-Ghazaleh, N., Marquez, A., Barker, K. (2021).  “Leaky buddies: Cross-component covert channels on integrated CPU-GPU systems”, Proceedings - International Symposium on Computer Architecture, 2021- (-), 972-984. DOI: 10.1109/ISCA52012.2021.00080

Tartakovsky, A.M., Barajas-Solano, D.A., He, Q. (2021).  “Physics-informed machine learning with conditional Karhunen-Loève expansions”, Journal of Computational Physics, 426 (-), -. DOI: 10.1016/j.jcp.2020.109904

Childs, A.M., Su, Y., Tran, M.C., Wiebe, N., Zhu, S. (2021).  “Theory of Trotter Error with Commutator Scaling”, Physical Review X, 11 (1), -. DOI: 10.1103/PhysRevX.11.011020

Peng, H., Huang, S., Geng, T., Li, A., Jiang, W., Liu, H., Wang, S., Ding, C. (2021).  “Accelerating transformer-based deep learning models on fpgas using column balanced block pruning”, Proceedings - International Symposium on Quality Electronic Design, ISQED, 2021- (-), 142-148. DOI: 10.1109/ISQED51717.2021.9424344

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Brabec, J., Brandejs, J., Kowalski, K., Xantheas, S., Legeza, Ö., Veis, L. (2021).  “Massively parallel quantum chemical density matrix renormalization group method”, Journal of Computational Chemistry, 42 (8), 534-544. DOI: 10.1002/jcc.26476

Kaneko, S., Wei, H., He, Q., Chen, J.-S., Yoshimura, S. (2021).  “A hyper-reduction computational method for accelerated modeling of thermal cycling-induced plastic deformations”, Journal of the Mechanics and Physics of Solids, 151 (-), -. DOI: 10.1016/j.jmps.2021.104385

Peng, B., Kowalski, K. (2021).  “Variational quantum solver employing the PDS energy functional”, Quantum, 5 (-), -. DOI: 10.22331/q-2021-06-10-473

Miao, J., Shen, J., Jiang, R., Chu, J., Guo, L. (2021).  “Enabling Multi-scale Features and Double-Attention for Single-image 3D Urban Reconstruction”, Proceeding - 2021 China Automation Congress, CAC 2021, - (-), 4115-4121. DOI: 10.1109/CAC53003.2021.9728424

King, E., Bakker, C., Bhattacharya, A., Chatterjee, S., Pan, F., Oster, M.R., Perkins, C.J. (2021).  “Solving the Dynamics-Aware Economic Dispatch Problem with the Koopman Operator”, e-Energy 2021 - Proceedings of the 2021 12th ACM International Conference on Future Energy Systems, - (-), 137-147. DOI: 10.1145/3447555.3464864

Nagy, Z., Park, J.Y., Drgona, J., Quintana, M. (2021).  “The second ACM SIGEnergy workshop on reinforcement learning for energy management in buildings & cities (RLEM)”, BuildSys 2021 - Proceedings of the 2021 ACM International Conference on Systems for Energy-Efficient Built Environments, - (-), 307-308. DOI: 10.1145/3486611.3491126

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Alexander, F.J., Ang, J., Bilbrey, J.A., Balewski, J., Casey, T., Chard, R., Choi, J., Choudhury, S., Debusschere, B., DeGennaro, A.M., Dryden, N., Ellis, J.A., Foster, I., Cardona, C.G., Ghosh, S., Harrington, P., Huang, Y., Jha, S., Johnston, T., Kagawa, A., Kannan, R., Kumar, N., Liu, Z., Maruyama, N., Matsuoka, S., McCarthy, E., Mohd-Yusof, J., Nugent, P., Oyama, Y., Proffen, T., Pugmire, D., Rajamanickam, S., Ramakrishniah, V., Schram, M., Seal, S.K., Sivaraman, G., Sweeney, C., Tan, L., Thakur, R., Van Essen, B., Ward, L., Welch, P., Wolf, M., Xantheas, S.S., Yager, K.G., Yoo, S., Yoon, B.-J. (2021).  “Co-design Center for Exascale Machine Learning Technologies (ExaLearn)”, International Journal of High Performance Computing Applications, 35 (6), 598-616. DOI: 10.1177/10943420211029302

Lee, J.-Y., Bilbao, A., Conant, C.R., Bloodsworth, K.J., Orton, D.J., Zhou, M., Wilson, J.W., Zheng, X., Webb, I.K., Li, A., Hixson, K.K., Fjeldsted, J.C., Ibrahim, Y.M., Payne, S.H., Jansson, C., Smith, R.D., Metz, T.O. (2021).  “AutoCCS: automated collision cross-section calculation software for ion mobility spectrometry–mass spectrometry”, Bioinformatics, 37 (22), 4193-4201. DOI: 10.1093/bioinformatics/btab429

Peng, H., Chen, S., Wang, Z., Yang, J., Weitze, S.A., Geng, T., Li, A., Bi, J., Song, M., Jiang, W., Liu, H., Ding, C. (2021).  “Optimizing FPGA-based Accelerator Design for Large-Scale Molecular Similarity Search (Special Session Paper)”, IEEE/ACM International Conference on Computer-Aided Design, Digest of Technical Papers, ICCAD, 2021- (-), -. DOI: 10.1109/ICCAD51958.2021.9643528

Murugesan, V., Nie, Z., Zhang, X., Gao, P., Zhu, Z., Huang, Q., Yan, L., Reed, D., Wang, W. (2021).  “Accelerated design of vanadium redox flow battery electrolytes through tunable solvation chemistry”, Cell Reports Physical Science, 2 (2), -. DOI: 10.1016/j.xcrp.2021.100323

Olson, S., Fao, R., Coe, R., Ruehl, K., Driscoll, F., Gunawan, B., Sivaraman, C., Lansing, C., Ivanov, H. (2021).  “The marine and hydrokinetic toolkit (Mhkit) for data quality control and analysis”, Proceedings of the European Wave and Tidal Energy Conference, - (-), 2024-2024-7. DOI: 10.2172/1886186

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Stein, S.A., L'Abbate, R., Mu, W., Liu, Y., Baheri, B., Mao, Y., Qiang, G., Li, A., Fang, B. (2021).  “A Hybrid System for Learning Classical Data in Quantum States”, Conference Proceedings of the IEEE International Performance, Computing, and Communications Conference, 2021- (-), -. DOI: 10.1109/IPCCC51483.2021.9679430

Meng, X., Babaee, H., Karniadakis, G.E. (2021).  “Multi-fidelity Bayesian neural networks: Algorithms and applications”, Journal of Computational Physics, 438 (-), -. DOI: 10.1016/j.jcp.2021.110361

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Jones, R., Fortin, D., Chatterjee, S., Thomas, D.G., Newburn, L. (2021).  “User Role Identification in Software Vulnerability Discussions over Social Networks”, Proceedings - 2021 IEEE International Conference on Intelligence and Security Informatics, ISI 2021, - (-), -. DOI: 10.1109/ISI53945.2021.9624857

Manu, D., Sheng, Y., Yang, J., Deng, J., Geng, T., Li, A., Ding, C., Jiang, W., Yang, L. (2021).  “FL-DISCO: Federated Generative Adversarial Network for Graph-based Molecule Drug Discovery”, IEEE/ACM International Conference on Computer-Aided Design, Digest of Technical Papers, ICCAD, 2021- (-), -. DOI: 10.1109/ICCAD51958.2021.9643440

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Jain, M., Kundu, S., Bhattacharya, A., Huang, S., Chandan, V., Radhakrishnan, N., Adetola, V., Vrabie, D. (2021).  “Occupancy-Driven Stochastic Decision Framework for Ranking Commercial Building Loads”, Proceedings of the American Control Conference, 2021- (-), 4171-4177. DOI: 10.23919/ACC50511.2021.9482639

Tan, C., Geng, T., Xie, C., Agostini, N.B., Li, J., Li, A., Barker, K., Tumeo, A. (2021).  “DynPaC: Coarse-Grained, Dynamic, and Partially Reconfigurable Array for Streaming Applications”, Proceedings - IEEE International Conference on Computer Design: VLSI in Computers and Processors, 2021- (-), 33-40. DOI: 10.1109/ICCD53106.2021.00018

Tan, C., Xie, C., Geng, T., Marquez, A., Tumeo, A., Barker, K., Li, A. (2021).  “ARENA: Asynchronous Reconfigurable Accelerator Ring to Enable Data-Centric Parallel Computing”, IEEE Transactions on Parallel and Distributed Systems, 32 (12), 2880-2892. DOI: 10.1109/TPDS.2021.3081074

Bhuiyan, T.H., Medal, H.R., Nandi, A.K., Halappanavar, M. (2021).  “Risk-averse bi-level stochastic network interdiction model for cyber-security risk management”, International Journal of Critical Infrastructure Protection, 32 (-), -. DOI: 10.1016/j.ijcip.2021.100408

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Li, A., Fang, B., Granade, C., Prawiroatmodjo, G., Heim, B., Roetteler, M., Krishnamoorthy, S. (2021).  “SV-Sim: Scalable PGAS-based state vector simulation of quantum circuits”, International Conference for High Performance Computing, Networking, Storage and Analysis, SC, - (-), -. DOI: 10.1145/3458817.3476169

Waheed, E., Urquijo, P., Ferlewicz, D., Adachi, I., Adamczyk, K., Aihara, H., Al Said, S., Asner, D.M., Atmacan, H., Aushev, T., Ayad, R., Babu, V., Badhrees, I., Bansal, V., Behera, P., Belenõ, C., Bernlochner, F., Bhuyan, B., Bilka, T., Biswal, J., Bobrov, A., Bonvicini, G., Bozek, A., Bračko, M., Browder, T.E., Campajola, M., Červenkov, D., Chang, P., Chekelian, V., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Di Carlo, S., DoleŽal, Z., Dong, T.V., Dossett, D., Eidelman, S., Epifanov, D., Fast, J.E., Fulsom, B.G., Garg, R., Gaur, V., Garmash, A., Giri, A., Goldenzweig, P., Golob, B., Grzymkowska, O., Haba, J., Hara, T., Hayasaka, K., Hayashii, H., Hedges, M.T., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Inguglia, G., Ishikawa, A., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jeon, H.B., Jia, S., Jin, Y., Joffe, D., Joo, K.K., Kahn, J., Kaliyar, A.B., Karyan, G., Kawasaki, T., Kim, C.H., Kim, D.Y., Kim, K.T., Kim, S.H., Kinoshita, K., Kodyš, P., Korpar, S., Kotchetkov, D., KriŽan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kulasiri, R., Kuzmin, A., Kwon, Y.-J., Lange, J.S., Lee, J.Y., Lee, S.C., Li, C.H., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liventsev, D., Lu, P.-C., Luo, T., MacNaughton, J., Masuda, M., Matvienko, D., Merola, M., Metzner, F., Miyabayashi, K., Miyata, H., Mizuk, R., Mohanty, G.B., Mori, T., Mussa, R., Nakamura, I., Nakao, M., Nath, K.J., Natkaniec, Z., Nayak, M., Niiyama, M., Nisar, N.K., Nishida, S., Nishimura, K., Ogawa, S., Ono, H., Pakhlov, P., Pakhlova, G., Pal, B., Pardi, S., Park, H., Park, S.-H., Paul, S., Pestotnik, R., Piilonen, L.E., Popov, V., Prencipe, E., Prim, M., Rostomyan, A., Russo, G., Sakai, Y., Salehi, M., Sandilya, S., Sanuki, T., Savinov, V., Schneider, O., Schnell, G., Schueler, J., Schwanda, C., Seino, Y., Senyo, K., Seon, O., Sevior, M.E., Shebalin, V., Shen, C.P., Shiu, J.-G., Shwartz, B., Simon, F., Sokolov, A., Solovieva, E., Stanič, S., Starič, M., Stottler, Z.S., Strube, J.F., Sumiyoshi, T., Takizawa, M., Tanida, K., Tenchini, F., Trabelsi, K., Uchida, M., Uglov, T., Unno, Y., Uno, S., Usov, Y., Varner, G., Varvell, K.E., Vinokurova, A., Vossen, A., Wang, C.H., Wang, M.-Z., Wang, P., Won, E., Yang, S.B., Ye, H., Yusa, Y., Zhang, Z.P., Zhilich, V., Zhukova, V. (2021).  “Erratum: Measurements of the branching fractions ofΛc+→pηandΛc+→pπ0decays at Belle (Physical Review D (2019) 100 (052007) DOI: 10.1103/PhysRevD.100.052007)”, Physical Review D, 103 (7), -. DOI: 10.1103/PhysRevD.103.079901

Kulkarni, S.S., Gupta, V., Ortiz, A., Das, H., Upadhyay, P., Barker, E., Herling, D. (2021).  “Determining cohesive parameters for modeling interfacial fracture in dissimilar-metal friction stir welded joints”, International Journal of Solids and Structures, 216 (-), 200-210. DOI: 10.1016/j.ijsolstr.2021.01.023

Das, H., Upadhyay, P., Kulkarni, S.S., Choi, W. (2021).  “Dissimilar Joining of ZEK100 and AA6022 for Automotive Application”, Minerals, Metals and Materials Series, - (-), 115-124. DOI: 10.1007/978-3-030-65265-4_11

Bel, O., Pata, J., Vlimant, J.-R., Tallent, N., Balcas, J., Spiropulu, M. (2021).  “Diolkos: Improving ethernet throughput through dynamic port selection”, Proceedings of the 18th ACM International Conference on Computing Frontiers 2021, CF 2021, - (-), 83-92. DOI: 10.1145/3457388.3458659

Bel, O., Mukhopadhyay, S., Tallent, N., Nawab, F., Long, D. (2021).  “WinnowML: Stable feature selection for maximizing prediction accuracy of time-based system modeling”, Proceedings - 2021 IEEE International Conference on Big Data, Big Data 2021, - (-), 3031-3041. DOI: 10.1109/BigData52589.2021.9671602

Liu, X.T., Firoz, J., Lumsdaine, A., Joslyn, C., Aksoy, S., Praggastis, B., Gebremedhin, A.H. (2021).  “Parallel Algorithms for Efficient Computation of High-Order Line Graphs of Hypergraphs”, Proceedings - 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics, HiPC 2021, - (-), 312-321. DOI: 10.1109/HiPC53243.2021.00045

Weitz, K.K., Smith, M.L., Hixson, K.K., Hill, E.A., Jansson, J.K., Hofmockel, K.S., Lipton, M.S. (2021).  “Real-Time Mass Spectrometry Measurements of Respiration Rates in Biological Systems”, Journal of the American Society for Mass Spectrometry, 32 (3), 648-652. DOI: 10.1021/jasms.0c00251

Wehle, S., Adachi, I., Adamczyk, K., Aihara, H., Asner, D.M., Atmacan, H., Aulchenko, V., Aushev, T., Ayad, R., Babu, V., Behera, P., Berger, M., Bhardwaj, V., Biswal, J., Bozek, A., Bračko, M., Browder, T.E., Campajola, M., Cao, L., Chang, M.-C., Chen, A., Cheon, B.G., Chilikin, K., Cho, K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Dash, N., De Nardo, G., Di Capua, F., Dubey, S., Eidelman, S., Epifanov, D., Ferber, T., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Garmash, A., Giri, A., Goldenzweig, P., Greenwald, D., Guan, Y., Haba, J., Hartbrich, O., Hayasaka, K., Hayashii, H., Hedges, M.T., Higuchi, T., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Inguglia, G., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jia, S., Jin, Y., Joffe, D., Kahn, J., Kaliyar, A.B., Karyan, G., Kichimi, H., Kim, D.Y., Kim, K.T., Kim, S.H., Kim, Y.-K., Kinoshita, K., Komarov, I., Korpar, S., Kotchetkov, D., Kroeger, R., Krokovny, P., Kuhr, T., Kulasiri, R., Kumar, R., Kumara, K., Kuzmin, A., Kwon, Y.-J., Lange, J.S., Lee, J.Y., Lee, S.C., Li, Y.B., Libby, J., Liptak, Z., Liventsev, D., Luo, T., Macnaughton, J., Masuda, M., Matsuda, T., McNeil, J.T., Merola, M., Metzner, F., Miyata, H., Mizuk, R., Mohanty, G.B., Moon, T.J., Mussa, R., Nakao, M., Natochii, A., Nayak, M., Niebuhr, C., Niiyama, M., Nisar, N.K., Nishida, S., Ogawa, K., Ogawa, S., Ono, H., Onuki, Y., Pakhlov, P., Pakhlova, G., Park, H., Park, S.-H., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Resmi, P.K., Ritter, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sakai, Y., Sandilya, S., Sangal, A., Santelj, L., Savinov, V., Schneider, O., Schnell, G., Schueler, J., Schwanda, C., Schwartz, A.J., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Shiu, J.-G., Shwartz, B., Solovieva, E., Starič, M., Strube, J.F., Sumiyoshi, T., Sutcliffe, W., Takizawa, M., Tamponi, U., Tanida, K., Tao, Y., Tenchini, F., Trabelsi, K., Uchida, M., Uglov, T., Unno, Y., Uno, S., Ushiroda, Y., Vahsen, S.E., Van Tonder, R., Varner, G., Varvell, K.E., Vorobyev, V., Wang, C.H., Wang, M.-Z., Wang, P., Wang, X.L., Won, E., Xu, X., Yang, S.B., Ye, H., Yin, J.H., Yuan, C.Z., Zhang, Z.P., Zhilich, V., Zhukova, V., Zhulanov, V. (2021).  “Test of Lepton-Flavor Universality in B →k∗ℓ+ℓ- Decays at Belle”, Physical Review Letters, 126 (16), -. DOI: 10.1103/PhysRevLett.126.161801

Howard, A.A., Tartakovsky, A.M. (2021).  “A conservative level set method for N-phase flows with a free-energy-based surface tension model”, Journal of Computational Physics, 426 (-), -. DOI: 10.1016/j.jcp.2020.109955

Cromwell, E., Shuai, P., Jiang, P., Coon, E.T., Painter, S.L., Moulton, J.D., Lin, Y., Chen, X. (2021).  “Estimating Watershed Subsurface Permeability From Stream Discharge Data Using Deep Neural Networks”, Frontiers in Earth Science, 9 (-), -. DOI: 10.3389/feart.2021.613011

Purohit, S., MacKey, P., Smith, W., Dunning, M., Orren, M.J., Langlie-Miletich, T.M., Deshmukh, R.D., Bohra, A., Martin, T.J., Aimone, D.J., Chin, G. (2021).  “Transactional Knowledge Graph Generation to Model Adversarial Activities”, Proceedings - 2021 IEEE International Conference on Big Data, Big Data 2021, - (-), 2662-2671. DOI: 10.1109/BigData52589.2021.9672016

Li, X., Gao, P., Lai, Y.-Y., Bazak, J.D., Hollas, A., Lin, H.-Y., Murugesan, V., Zhang, S., Cheng, C.-F., Tung, W.-Y., Lai, Y.-T., Feng, R., Wang, J., Wang, C.-L., Wang, W., Zhu, Y. (2021).  “Symmetry-breaking design of an organic iron complex catholyte for a long cyclability aqueous organic redox flow battery”, Nature Energy, 6 (9), 873-881. DOI: 10.1038/s41560-021-00879-6

Yu, Q., Chatterjee, S., Roche, K.J., Po, G., Marian, J. (2021).  “Coupling crystal plasticity and stochastic cluster dynamics models of irradiation damage in tungsten”, Modelling and Simulation in Materials Science and Engineering, 29 (5), -. DOI: 10.1088/1361-651X/ac01ba

Ruehl, K., Topper, M.B.R., Faltas, M., Sivaraman, C., Lansing, C., Weers, J., Driscoll, F. (2021).  “Introducing primre’s mre software knowledge hub (February 2021)”, Proceedings of the European Wave and Tidal Energy Conference, - (-), 2178-2178-9.

Kulkarni, S.S., Truster, T., Das, H., Gupta, V., Soulami, A., Upadhyay, P., Herling, D. (2021).  “Microstructure-Based Modeling of Friction Stir Welded Joint of Dissimilar Metals Using Crystal Plasticity”, Journal of Manufacturing Science and Engineering, Transactions of the ASME, 143 (12), -. DOI: 10.1115/1.4051190

Drgoňa, J., Tuor, A.R., Chandan, V., Vrabie, D.L. (2021).  “Physics-constrained deep learning of multi-zone building thermal dynamics”, Energy and Buildings, 243 (-), -. DOI: 10.1016/j.enbuild.2021.110992

Zhang, J.J., Agostini, N.B., Song, S., Tan, C., Limaye, A., Amatya, V., Manzano, J., Minutoli, M., Castellana, V.G., Tumeo, A., Wei, G.-Y., Brooks, D. (2021).  “Towards automatic and agile AI/ML accelerator design with end-to-end synthesis”, Proceedings of the International Conference on Application-Specific Systems, Architectures and Processors, 2021- (-), 218-225. DOI: 10.1109/ASAP52443.2021.00040

D'Elia, M., Gulian, M., Olson, H., Karniadakis, G.E. (2021).  “Towards a unified theory of fractional and nonlocal vector calculus”, Fractional Calculus and Applied Analysis, 24 (5), 1301-1355. DOI: 10.1515/fca-2021-0057

Gentile, A.A., Flynn, B., Knauer, S., Wiebe, N., Paesani, S., Granade, C.E., Rarity, J.G., Santagati, R., Laing, A. (2021).  “Learning models of quantum systems from experiments”, Nature Physics, 17 (7), 837-843. DOI: 10.1038/s41567-021-01201-7

McNeil, J.T., Yelton, J., Bennett, J., Adachi, I., Adamczyk, K., Ahn, J.K., Aihara, H., Al Said, S., Asner, D.M., Atmacan, H., Aulchenko, V., Aushev, T., Ayad, R., Babu, V., Bahinipati, S., Behera, P., Bessner, M., Bilka, T., Biswal, J., Bobrov, A., Bonvicini, G., Bozek, A., Bračko, M., Browder, T.E., Campajola, M., Cao, L., Červenkov, D., Chang, P., Chekelian, V., Chen, A., Cheon, B.G., Chilikin, K., Cho, K., Cho, S.-J., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., Dash, N., De Nardo, G., Dhamija, R., Di Capua, F., DoleŽal, Z., Dong, T.V., Eidelman, S., Ferber, T., Fulsom, B.G., Gaur, V., Gabyshev, N., Garmash, A., Giri, A., Goldenzweig, P., Golob, B., Grzymkowska, O., Guan, Y., Gudkova, K., Hadjivasiliou, C., Hayasaka, K., Hayashii, H., Hou, W.-S., Hsu, C.-L., Huang, K., Inami, K., Ishikawa, A., Itoh, R., Iwasaki, M., Jacobs, W.W., Jeon, H.B., Jia, S., Jin, Y., Joo, K.K., Kaliyar, A.B., Kang, K.H., Karyan, G., Kichimi, H., Kim, B.H., Kim, C.H., Kim, D.Y., Kim, S.H., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korpar, S., KriŽan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kulasiri, R., Kumar, M., Kumara, K., Kwon, Y.-J., Lalwani, K., Lee, S.C., Li, J., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liptak, Z., Liventsev, D., Macqueen, C., Masuda, M., Matsuda, T., Matvienko, D., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mohanty, S., Moon, T.J., Mussa, R., Nakao, M., Natochii, A., Nayak, L., Nayak, M., Niiyama, M., Nisar, N.K., Nishida, S., Ogawa, K., Ogawa, S., Ono, H., Onuki, Y., Oskin, P., Pakhlova, G., Pardi, S., Park, H., Park, S.-H., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sakai, Y., Sandilya, S., Sangal, A., Santelj, L., Savinov, V., Schnell, G., Schueler, J., Schwanda, C., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shebalin, V., Shiu, J.-G., Simon, F., Solovieva, E., Starič, M., Stottler, Z.S., Strube, J.F., Sumihama, M., Sumiyoshi, T., Takizawa, M., Tamponi, U., Tanida, K., Tao, Y., Tenchini, F., Uchida, M., Uehara, S., Unno, Y., Uno, S., Van Tonder, R., Varner, G., Vinokurova, A., Vorobyev, V., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Watanabe, M., Watanuki, S., Won, E., Xu, X., Yabsley, B.D., Yan, W., Ye, H., Yin, J.H., Zhang, Z.P., Zhilich, V., Zhukova, V. (2021).  “Measurement of the resonant and nonresonant branching ratios in Ξc0 → Ξ0K+K-”, Physical Review D, 103 (11), -. DOI: 10.1103/PhysRevD.103.112002

Huggins, W.J., McClean, J.R., Rubin, N.C., Jiang, Z., Wiebe, N., Whaley, K.B., Babbush, R. (2021).  “Efficient and noise resilient measurements for quantum chemistry on near-term quantum computers”, npj Quantum Information, 7 (1), -. DOI: 10.1038/s41534-020-00341-7

Das, S.S., Serra, E., Halappanavar, M., Pothen, A., Al-Shaer, E. (2021).  “V2W-BERT: A Framework for Effective Hierarchical Multiclass Classification of Software Vulnerabilities”, 2021 IEEE 8th International Conference on Data Science and Advanced Analytics, DSAA 2021, - (-), -. DOI: 10.1109/DSAA53316.2021.9564227

Stanitzki, M., Strube, J. (2021).  “Performance of Julia for High Energy Physics Analyses”, Computing and Software for Big Science, 5 (1), -. DOI: 10.1007/s41781-021-00053-3

Kolev, T., Fischer, P., Min, M., Dongarra, J., Brown, J., Dobrev, V., Warburton, T., Tomov, S., Shephard, M.S., Abdelfattah, A., Barra, V., Beams, N., Camier, J.-S., Chalmers, N., Dudouit, Y., Karakus, A., Karlin, I., Kerkemeier, S., Lan, Y.-H., Medina, D., Merzari, E., Obabko, A., Pazner, W., Rathnayake, T., Smith, C.W., Spies, L., Swirydowicz, K., Thompson, J., Tomboulides, A., Tomov, V. (2021).  “Efficient exascale discretizations: High-order finite element methods”, International Journal of High Performance Computing Applications, 35 (6), 527-552. DOI: 10.1177/10943420211020803

Oster, M.R., Chatterjee, S., Ganguly, A.R., Thomas, D.G., Watson, J., Corbiani, D., Webster, J., Pan, F., Gattis, B., Haynie, K. (2021).  “A Tri-Level Optimization Model for Interdependent Infrastructure Network Resilience Against Compound Hazard Events”, 2021 IEEE Virtual IEEE International Symposium on Technologies for Homeland Security, HST 2021, - (-), -. DOI: 10.1109/HST53381.2021.9619824

Müller, M.P., Adlam, E., Masanes, L., Wiebe, N. (2021).  “Correction to: Thermalization and Canonical Typicality in Translation-Invariant Quantum Lattice Systems (Communications in Mathematical Physics, (2015), 340, 2, (499-561), 10.1007/s00220-015-2473-y)”, Communications in Mathematical Physics, 383 (3), 2309-2312. DOI: 10.1007/s00220-021-04014-0

Tong, Y., An, D., Wiebe, N., Lin, L. (2021).  “Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions”, Physical Review A, 104 (3), -. DOI: 10.1103/PhysRevA.104.032422

Bhattacharya, A., Ma, X., Vrabie, D.L. (2021).  “Model Predictive Control of Discrete-Continuous Energy Systems via Generalized Disjunctive Programming”, IFAC-PapersOnLine, 54 (20), 913-918. DOI: 10.1016/j.ifacol.2021.11.288

Kautz, E.J., Shahrezaei, S., Athon, M., Frank, M., Schemer-Kohrn, A., Soulami, A., Lavender, C., Joshi, V.V., Devaraj, A. (2021).  “Evaluating the microstructure and origin of nonmetallic inclusions in as-cast U-10Mo fuel”, Journal of Nuclear Materials, 554 (-), -. DOI: 10.1016/j.jnucmat.2021.152949

Aksoy, S.G., Bruillard, P., Young, S.J., Raugas, M. (2021).  “Ramanujan graphs and the spectral gap of supercomputing topologies”, Journal of Supercomputing, 77 (2), 1177-1213. DOI: 10.1007/s11227-020-03291-1

Subasi, O., Chatterjee, S. (2021).  “Efficient sampling of complex interdependent and multiplex networks”, Journal of Complex Networks, 9 (5), -. DOI: 10.1093/comnet/cnab029

Huang, S., Wang, J., Fu, Y., Zuo, W., Hinkelman, K., Kaiser, R.M., He, D., Vrabie, D. (2021).  “An open-source virtual testbed for a real Net-Zero Energy Community”, Sustainable Cities and Society, 75 (-), -. DOI: 10.1016/j.scs.2021.103255

Abhyankar, S., Huang, R., Jin, S., Palmer, B., Perkins, W., Chen, Y. (2021).  “Implicit - Integration dynamics simulation with the GridPACK framework”, IEEE Power and Energy Society General Meeting, 2021- (-), -. DOI: 10.1109/PESGM46819.2021.9637909

Zhang, X., Fu, X., Zhuang, D., Xie, C., Song, S.L. (2021).  “Enabling Highly Efficient Capsule Networks Processing through Software-Hardware Co-Design”, IEEE Transactions on Computers, 70 (4), 495-510. DOI: 10.1109/TC.2021.3056929

Peng, B., Panyala, A., Kowalski, K., Krishnamoorthy, S. (2021).  “GFCCLib: Scalable and efficient coupled-cluster Green's function library for accurately tackling many-body electronic structure problems”, Computer Physics Communications, 265 (-), -. DOI: 10.1016/j.cpc.2021.108000

Chen, X., Duan, J., Karniadakis, G.E.M. (2021).  “Learning and meta-learning of stochastic advection-diffusion-reaction systems from sparse measurements”, European Journal of Applied Mathematics, 32 (3), 397-420. DOI: 10.1017/S0956792520000169

Heindel, J.P., Xantheas, S.S. (2021).  “Molecular Dynamics Driven by the Many-Body Expansion (MBE-MD)”, Journal of Chemical Theory and Computation, 17 (12), 7341-7352. DOI: 10.1021/acs.jctc.1c00780

Van Tonder, R., Cao, L., Sutcliffe, W., Welsch, M., Bernlochner, F.U., Adachi, I., Aihara, H., Asner, D.M., Aushev, T., Ayad, R., Babu, V., Behera, P., Belous, K., Bennett, J., Bessner, M., Bhardwaj, V., Bhuyan, B., Bilka, T., Biswal, J., Bobrov, A., Bodrov, D., Borah, J., Bozek, A., Bračko, M., Branchini, P., Budano, A., Campajola, M., Červenkov, D., Chang, M.-C., Chang, P., Chekelian, V., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., De Nardo, G., De Pietro, G., Dhamija, R., Di Capua, F., Dingfelder, J., DoleŽal, Z., Dong, T.V., Dubey, S., Epifanov, D., Ferber, T., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Giri, A., Goldenzweig, P., Graziani, E., Gu, T., Guan, Y., Gudkova, K., Hadjivasiliou, C., Halder, S., Hartbrich, O., Hayasaka, K., Hayashii, H., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Ishikawa, A., Itoh, R., Iwasaki, M., Jacobs, W.W., Jia, S., Jin, Y., Joo, K.K., Kaliyar, A.B., Kang, K.H., Karyan, G., Kichimi, H., Kiesling, C., Kim, C.H., Kim, D.Y., Kim, K.-H., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korpar, S., Kovalenko, E., KriŽan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kumar, M., Kumar, R., Kumara, K., Kuzmin, A., Kwon, Y.-J., Lange, J.S., Laurenza, M., Lee, S.C., Lewis, P., Li, C.H., Li, J., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liventsev, D., Macqueen, C., Masuda, M., Matsuda, T., Matvienko, D., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mohanty, S., Mrvar, M., Nakao, M., Natkaniec, Z., Natochii, A., Nayak, L., Nisar, N.K., Nishida, S., Nishimura, K., Ogawa, K., Ogawa, S., Ono, H., Oskin, P., Pakhlov, P., Pakhlova, G., Pang, T., Pardi, S., Park, H., Park, S.-H., Passeri, A., Patra, S., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Rabusov, A., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Santelj, L., Savinov, V., Schnell, G., Schwanda, C., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shen, C.P., Shiu, J.-G., Sokolov, A., Solovieva, E., Starič, M., Stottler, Z.S., Strube, J.F., Sumihama, M., Sumiyoshi, T., Takizawa, M., Tamponi, U., Tanida, K., Tenchini, F., Trabelsi, K., Uchida, M., Uglov, T., Unno, Y., Uno, S., Urquijo, P., Vahsen, S.E., Varner, G., Varvell, K.E., Waheed, E., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Wang, X.L., Watanabe, M., Watanuki, S., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yin, J.H., Zhang, Z.P., Zhilich, V., Zhukova, V. (2021).  “Measurements of q2 moments of inclusive B →xcℓ+νℓ decays with hadronic tagging”, Physical Review D, 104 (11), -. DOI: 10.1103/PhysRevD.104.112011

Kordilla, J., Dentz, M., Tartakovsky, A.M. (2021).  “Numerical and Analytical Modeling of Flow Partitioning in Partially Saturated Fracture Networks”, Water Resources Research, 57 (4), -. DOI: 10.1029/2020WR028775

Drgoňa, J., Mukherjee, S., Zhang, J., Liu, F., Halappanavar, M. (2021).  “On the Stochastic Stability of Deep Markov Models”, Advances in Neural Information Processing Systems, 29 (-), 24033-24047. DOI: 10.48550/arXiv.2111.04601

Jeong, G., Kestor, G., Chatarasi, P., Parashar, A., Tsai, P.-A., Rajamanickam, S., Gioiosa, R., Krishna, T. (2021).  “Union: A Unified HW-SW Co-Design Ecosystem in MLIR for Evaluating Tensor Operations on Spatial Accelerators”, Parallel Architectures and Compilation Techniques - Conference Proceedings, PACT, 2021- (-), 30-44. DOI: 10.1109/PACT52795.2021.00010

Ghosh, P., Krishnamoorthy, S., Kalyanaraman, A. (2021).  “PaKman: A Scalable Algorithm for Generating Genomic Contigs on Distributed Memory Machines”, IEEE Transactions on Parallel and Distributed Systems, 32 (5), 1191-1209. DOI: 10.1109/TPDS.2020.3043241

Geng, T., Li, A., Wang, T., Wu, C., Li, Y., Shi, R., Wu, W., Herbordt, M. (2021).  “O3BNN-R: An Out-of-Order Architecture for High-Performance and Regularized BNN Inference”, IEEE Transactions on Parallel and Distributed Systems, 32 (1), 199-213. DOI: 10.1109/TPDS.2020.3013637

Ferrandi, F., Castellana, V.G., Curzel, S., Fezzardi, P., Fiorito, M., Lattuada, M., Minutoli, M., Pilato, C., Tumeo, A. (2021).  “Invited: Bambu: an Open-Source Research Framework for the High-Level Synthesis of Complex Applications”, Proceedings - Design Automation Conference, 2021- (-), 1327-1330. DOI: 10.1109/DAC18074.2021.9586110

Palesi, M., Tumeo, A. (2021).  “Message from the General Co-Chairs”, Proceedings of the 18th ACM International Conference on Computing Frontiers 2021, CF 2021, - (-), -. DOI: 10.1145/3457388

Jain, M., Gupta, K., Sathanur, A., Chandan, V., Halappanavar, M.M. (2021).  “Transfer-Learnt Models for Predicting Electricity Consumption in Buildings with Limited and Sparse Field Data”, Proceedings of the American Control Conference, 2021- (-), 2887-2894. DOI: 10.23919/ACC50511.2021.9483228

Chen, Y., Xu, Z., Wang, C., Bao, J., Koeppel, B., Yan, L., Gao, P., Wang, W. (2021).  “Analytical modeling for redox flow battery design”, Journal of Power Sources, 482 (-), -. DOI: 10.1016/j.jpowsour.2020.228817

Kwak, W.-J., Lim, H.-S., Gao, P., Feng, R., Chae, S., Zhong, L., Read, J., Engelhard, M.H., Xu, W., Zhang, J.-G. (2021).  “Effects of Fluorinated Diluents in Localized High-Concentration Electrolytes for Lithium–Oxygen Batteries”, Advanced Functional Materials, 31 (2), -. DOI: 10.1002/adfm.202002927

Li, S.X., Li, L.K., Shen, C.P., Adachi, I., Aihara, H., Al Said, S., Asner, D.M., Aushev, T., Behera, P., Belous, K., Bennett, J., Bessner, M., Bhardwaj, V., Bhuyan, B., Bilka, T., Biswal, J., Bobrov, A., Bodrov, D., Borah, J., Bozek, A., Bračko, M., Branchini, P., Browder, T.E., Budano, A., Campajola, M., Červenkov, D., Chang, M.-C., Chang, P., Chen, A., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, S.-K., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Das, S., De Nardo, G., De Pietro, G., Dhamija, R., Di Capua, F., Doležal, Z., Dong, T.V., Epifanov, D., Ferber, T., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Giri, A., Goldenzweig, P., Golob, B., Graziani, E., Gu, T., Guan, Y., Gudkova, K., Hadjivasiliou, C., Halder, S., Hartbrich, O., Hayasaka, K., Hayashii, H., Hou, W.-S., Hsu, C.-L., Iijima, T., Inami, K., Ishikawa, A., Itoh, R., Iwasaki, M., Iwasaki, Y., Jacobs, W.W., Jia, S., Jin, Y., Joo, K.K., Kaliyar, A.B., Kang, K.H., Kato, Y., Kichimi, H., Kim, C.H., Kim, D.Y., Kim, K.-H., Kim, K.T., Kim, Y.-K., Kinoshita, K., Kodyš, P., Konno, T., Korobov, A., Korpar, S., Kovalenko, E., Križan, P., Kroeger, R., Krokovny, P., Kumar, R., Kumara, K., Kwon, Y.-J., Lai, Y.-T., Lange, J.S., Laurenza, M., Lee, S.C., Li, J., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liventsev, D., MacQueen, C., Masuda, M., Matsuda, T., Merola, M., Miyabayashi, K., Mizuk, R., Mussa, R., Nakao, M., Natochii, A., Nayak, L., Nayak, M., Niiyama, M., Nisar, N.K., Nishida, S., Ogawa, S., Ono, H., Oskin, P., Pakhlov, P., Pakhlova, G., Pang, T., Park, H., Park, S.-H., Patra, S., Paul, S., Pedlar, T.K., Pestotnik, R., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Röhrken, M., Rostomyan, A., Rout, N., Russo, G., Sahoo, D., Sandilya, S., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schwanda, C., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shiu, J.-G., Simon, F., Sokolov, A., Solovieva, E., Starič, M., Stottler, Z.S., Strube, J.F., Sumihama, M., Sumiyoshi, T., Sutcliffe, W., Takizawa, M., Tamponi, U., Tanida, K., Tenchini, F., Uchida, M., Uglov, T., Unno, Y., Uno, K., Uno, S., Urquijo, P., Usov, Y., Vahsen, S.E., Van Tonder, R., Varner, G., Vinokurova, A., Waheed, E., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Won, E., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yelton, J., Yin, J.H., Yusa, Y., Zhang, Z.P., Zhilich, V., Zhukova, V. (2021).  “Measurement of the branching fraction of decay at Belle”, Physical Review D, 104 (7), -. DOI: 10.1103/PhysRevD.104.072008

Sathanur, A.V., Khan, A. (2021).  “Scalable Approaches to Selecting Key Entities in Large Networked Infrastructure Systems”, Proceedings - 2021 IEEE International Conference on Big Data, Big Data 2021, - (-), 1731-1738. DOI: 10.1109/BigData52589.2021.9671900

Kharazmi, E., Zhang, Z., Karniadakis, G.E.M. (2021).  “hp-VPINNs: Variational physics-informed neural networks with domain decomposition”, Computer Methods in Applied Mechanics and Engineering, 374 (-), -. DOI: 10.1016/j.cma.2020.113547

Bauman, N.P., Liu, H., Bylaska, E.J., Krishnamoorthy, S., Low, G.H., Granade, C.E., Wiebe, N., Baker, N.A., Peng, B., Roetteler, M., Troyer, M., Kowalski, K. (2021).  “Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States”, Journal of Chemical Theory and Computation, 17 (1), 201-210. DOI: 10.1021/acs.jctc.0c00909

Hixson, K.K., Marques, J.V., Wendler, J.P., McDermott, J.E., Weitz, K.K., Clauss, T.R., Monroe, M.E., Moore, R.J., Brown, J., Lipton, M.S., Bell, C.J., Paša-Tolić, L., Davin, L.B., Lewis, N.G. (2021).  “New Insights Into Lignification via Network and Multi-Omics Analyses of Arogenate Dehydratase Knock-Out Mutants in Arabidopsis thaliana”, Frontiers in Plant Science, 12 (-), -. DOI: 10.3389/fpls.2021.664250

Geng, T., Wu, C., Tan, C., Xie, C., Guo, A., Haghi, P., He, S.Y., Li, J., Herbordt, M., Li, A. (2021).  “A Survey: Handling Irregularities in Neural Network Acceleration with FPGAs”, 2021 IEEE High Performance Extreme Computing Conference, HPEC 2021, - (-), -. DOI: 10.1109/HPEC49654.2021.9622877

Ortiz Marrero, C., Kieferová, M., Wiebe, N. (2021).  “Entanglement-Induced Barren Plateaus”, PRX Quantum, 2 (4), -. DOI: 10.1103/PRXQuantum.2.040316

Jia, H., Xu, Y., Zhang, X., Burton, S.D., Gao, P., Matthews, B.E., Engelhard, M.H., Han, K.S., Zhong, L., Wang, C., Xu, W. (2021).  “Advanced Low-Flammable Electrolytes for Stable Operation of High-Voltage Lithium-Ion Batteries”, Angewandte Chemie - International Edition, 60 (23), 12999-13006. DOI: 10.1002/anie.202102403

Mueller, J.J., Hu, X., Sun, X., Ren, Y., Choi, K., Barker, E., Speer, J.G., Matlock, D.K., De Moor, E. (2021).  “Austenite formation and cementite dissolution during intercritical annealing of a medium-manganese steel from a martensitic condition”, Materials and Design, 203 (-), -. DOI: 10.1016/j.matdes.2021.109598

St. John, J., Herwig, C., Kafkes, D., Mitrevski, J., Pellico, W.A., Perdue, G.N., Quintero-Parra, A., Schupbach, B.A., Seiya, K., Tran, N., Schram, M., Duarte, J.M., Huang, Y., Keller, R. (2021).  “Real-time artificial intelligence for accelerator control: A study at the Fermilab Booster”, Physical Review Accelerators and Beams, 24 (10), -. DOI: 10.1103/PhysRevAccelBeams.24.104601

Wang, J., Huang, S., Zuo, W., Vrabie, D. (2021).  “Occupant preference-aware load scheduling for resilient communities”, Energy and Buildings, 252 (-), -. DOI: 10.1016/j.enbuild.2021.111399

Cao, X., Gao, P., Ren, X., Zou, L., Engelhard, M.H., Matthews, B.E., Hu, J., Niu, C., Liu, D., Arey, B.W., Wang, C., Xiao, J., Liu, J., Xu, W., Zhang, J.-G. (2021).  “Effects of fluorinated solvents on electrolyte solvation structures and electrode/electrolyte interphases for lithium metal batteries”, Proceedings of the National Academy of Sciences of the United States of America, 118 (9), -. DOI: 10.1073/pnas.2020357118

Lu, L., Meng, X., Mao, Z., Karniadakis, G.E. (2021).  “DeepXDE: A deep learning library for solving differential equations”, SIAM Review, 63 (1), 208-228. DOI: 10.1137/19M1274067

White, R.R., Wunder, N., Guba, N., Dinh, H., Van Allsburg, K.M., Munch, K., Sivaraman, C., Pailing, C. (2021).  “Energy Material Network Data Hubs Software Platforms for Advancing Collaborative Energy Materials Research”, International Journal of Advanced Computer Science and Applications, 12 (6), 657-667. DOI: 10.14569/IJACSA.2021.0120677

Cao, L., Sutcliffe, W., Van Tonder, R., Bernlochner, F.U., Adachi, I., Aihara, H., Asner, D.M., Aushev, T., Ayad, R., Babu, V., Bahinipati, S., Behera, P., Belous, K., Bennett, J., Bessner, M., Bilka, T., Biswal, J., Bobrov, A., Bračko, M., Branchini, P., Browder, T.E., Budano, A., Campajola, M., Červenkov, D., Chang, M.-C., Chang, P., Cheon, B.G., Chilikin, K., Cho, H.E., Cho, K., Cho, S.-J., Choi, Y., Choudhury, S., Cinabro, D., Cunliffe, S., Czank, T., Dash, N., De Pietro, G., Dhamija, R., Di Capua, F., Dingfelder, J., DoleŽal, Z., Dong, T.V., Dubey, S., Epifanov, D., Ferber, T., Ferlewicz, D., Frey, A., Fulsom, B.G., Garg, R., Gaur, V., Gabyshev, N., Garmash, A., Giri, A., Goldenzweig, P., Gu, T., Gudkova, K., Halder, S., Hara, T., Hartbrich, O., Hayasaka, K., Hernandez Villanueva, M., Hou, W.-S., Hsu, C.-L., Inami, K., Ishikawa, A., Itoh, R., Iwasaki, M., Jacobs, W.W., Jang, E.-J., Jia, S., Jin, Y., Joo, K.K., Kahn, J., Kang, K.H., Kichimi, H., Kiesling, C., Kim, C.H., Kim, D.Y., Kim, S.H., Kim, Y.-K., Kimmel, T.D., Kinoshita, K., Kodyš, P., Konno, T., Korobov, A., Korpar, S., Kovalenko, E., KriŽan, P., Kroeger, R., Krokovny, P., Kuhr, T., Kulasiri, R., Kumar, M., Kumar, R., Kumara, K., Kuzmin, A., Kwon, Y.-J., Lee, S.C., Li, C.H., Li, J., Li, L.K., Li, Y.B., Li Gioi, L., Libby, J., Lieret, K., Liventsev, D., Macqueen, C., Masuda, M., Merola, M., Metzner, F., Miyabayashi, K., Mizuk, R., Mohanty, G.B., Mohanty, S., Mrvar, M., Nakao, M., Natochii, A., Nayak, L., Niiyama, M., Nisar, N.K., Nishida, S., Nishimura, K., Ogawa, S., Ono, H., Onuki, Y., Oskin, P., Pakhlova, G., Pardi, S., Park, H., Park, S.-H., Passeri, A., Patra, S., Paul, S., Pedlar, T.K., Piilonen, L.E., Podobnik, T., Popov, V., Prencipe, E., Prim, M.T., Röhrken, M., Rostomyan, A., Rout, N., Rozanska, M., Russo, G., Sahoo, D., Sandilya, S., Sangal, A., Santelj, L., Sanuki, T., Savinov, V., Schnell, G., Schueler, J., Schwanda, C., Schwartz, A.J., Seino, Y., Senyo, K., Sevior, M.E., Shapkin, M., Sharma, C., Shen, C.P., Shiu, J.-G., Shwartz, B., Simon, F., Sokolov, A., Solovieva, E., Starič, M., Strube, J.F., Sumihama, M., Sumiyoshi, T., Takizawa, M., Tamponi, U., Tanida, K., Tao, Y., Tenchini, F., Trabelsi, K., Uchida, M., Uglov, T., Uno, S., Urquijo, P., Vahsen, S.E., Varner, G., Varvell, K.E., Waheed, E., Wang, C.H., Wang, E., Wang, M.-Z., Wang, P., Wang, X.L., Watanabe, M., Watanuki, S., Werbycka, O., Won, E., Yabsley, B.D., Yan, W., Yang, S.B., Ye, H., Yin, J.H., Zhang, Z.P., Zhilich, V., Zhukova, V. (2021).  “Measurement of Differential Branching Fractions of Inclusive B →xuℓ+νℓ Decays”, Physical Review Letters, 127 (26), -. DOI: 10.1103/PhysRevLett.127.261801

2020

Darulová, J. Pauka, S.J. Wiebe, N. Chan, K.W. Gardener, G.C. Manfra, M.J. Cassidy, M.C. Troyer, M. (2020). ”Autonomous Tuning and Charge-State Detection of Gate-Defined Quantum Dots”, Physical Review Applied, 13 (5). DOI: 10.1103/PhysRevApplied.13.054005.

Berry, D.W. Childs, A.M. Su, Y. Wang, X. Wiebe, N. (2020). ”Time-dependent hamiltonian simulation with L1-norm scaling”, Quantum, 4. DOI: 10.22331/q-2020-04-20-254.

Palmer, B.J. Chun, J. Morris, J.F. Mundy, C.J. Schenter, G.K. (2020). ”Correlation function approach for diffusion in confined geometries”, Physical Review E, 102 (2). DOI: 10.1103/PhysRevE.102.022129.

Kwak, W.-J. Chae, S. Feng, R. Gao, P. Read, J. Engelhard, M.H. Zhong, L. Xu, W. Zhang, J.-G. (2020). ”Optimized Electrolyte with High Electrochemical Stability and Oxygen Solubility for Lithium-Oxygen and Lithium-Air Batteries”, ACS Energy Letters, 5 (7), 2182-2190. DOI: 10.1021/acsenergylett.0c00809.

Zou, P. Li, A. Barker, K. Ge, R. (2020). ”Indicator-Directed Dynamic Power Management for Iterative Workloads on GPU-Accelerated Systems”, Proceedings - 20th IEEE/ACM International Symposium on Cluster, Cloud and Internet Computing, CCGRID 2020, 559-568. DOI: 10.1109/CCGrid49817.2020.00-37.

Minutoli, M. Castellana, V.G. Tan, C. Manzano, J. Amatya, V. Tumeo, A. Brooks, D. Wei, G.-Y. (2020). ”SODA: a New Synthesis Infrastructure for Agile Hardware Design of Machine Learning Accelerators”, IEEE/ACM International Conference on Computer-Aided Design, Digest of Technical Papers, ICCAD, 2020. DOI: 10.1145/3400302.3415781.

Poudel, S. Sharma, P. Dubey, A. Schneider, K.P. (2020). ”Advanced FLISR with Intentional Islanding Operations in an ADMS Environment Using GridAPPS-D”, IEEE Access, 8, 113766-113778. DOI: 10.1109/ACCESS.2020.3003325.

Firoz, J.S. Li, A. Li, J. Barker, K. (2020). ”On the Feasibility of Using Reduced-Precision Tensor Core Operations for Graph Analytics”, 2020 IEEE High Performance Extreme Computing Conference, HPEC 2020, DOI: 10.1109/HPEC43674.2020.9286152.

Ren, X. Gao, P. Zou, L. Jiao, S. Cao, X. Zhang, X. Jia, H. Engelhard, M.H. Matthews, B.E. Wu, H. Lee, H. Niu, C. Wang, C. Arey, B.W. Xiao, J. Liu, J. Zhang, J.-G. Xu, W. (2020). ”Role of inner solvation sheath within salt–solvent complexes in tailoring electrode/electrolyte interphases for lithium metal batteries”, Proceedings of the National Academy of Sciences of the United States of America, 117 (46), 28603-28613. DOI: 10.1073/pnas.2010852117. 

Jian, J. Fernandez, C.A. Burghardt, J. Bonneville, A. Gupta, V. Garrison, G. (2020). ”Alternative, less water-intensive, fracturing fluids for enhanced geothermal systems”, 54th U.S. Rock Mechanics/Geomechanics Symposium.

Yang, N. Edington, S.C. Choi, T.H. Henderson, E.V. Heindel, J.P. Xantheas, S.S. Jordan, K.D. Johnsn, M.A. (2020). ”Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage”, Proceedings of the National Academy of Sciences of the United States of America, 117 (42), 26047-26052. DOI: 10.1073/pnas.2017150117.

Meng, X. Karniadakis, G.E. (2020). ”A composite neural network that learns from multi-fidelity data: Application to function approximation and inverse PDE problems”, Journal of Computational Physics, 401. DOI: 10.1016/j.jcp.2019.109020.

Gawande, N.A. Daily, J.A. Siegel, C. Tallent, N.R. Vishnu, A. (2020). ”Scaling Deep Learning workloads: NVIDIA DGX-1/Pascal and Intel Knights Landing”, Future Generation Computer Systems, 108, 1162-1172. DOI: 10.1016/j.future.2018.04.073.

Barik, R. Minutoli, M. Halappanavar, M. Tallent, N.R. Kalyanaraman, A. (2020). ”Vertex Reordering for Real-World Graphs and Applications: An Empirical Evaluation”, Proceedings - 2020 IEEE International Symposium on Workload Characterization, IISWC 2020, 240-251. DOI: 10.1109/IISWC50251.2020.00031.

Wang, T. Geng, T. Li, A. Jin, X. Herbordt, M. (2020). ”FPDeep: Scalable Acceleration of CNN Training on Deeply-Pipelined FPGA Clusters”, IEEE Transactions on Computers, 69 (8), 1143-1158. DOI: 10.1109/TC.2020.3000118.

Cai, Y. Sun, C.Y. Li, Y.L. Hu, S.Y. Zhu, N.Y. Barker, E.I. Qian, L.Y. (2020). ”Phase field modeling of discontinuous dynamic recrystallization in hot deformation of magnesium alloys”, International Journal of Plasticity, 133. DOI: 10.1016/j.ijplas.2020.102773.

Singh, R.K. Bao, J. Wang, C. Fu, Y. Xu, Z. (2020). ”Hydrodynamics of countercurrent flows in a structured packed column: Effects of initial wetting and dynamic contact angle”, Chemical Engineering Journal, 398. DOI: 10.1016/j.cej.2020.125548.

Jia, H. Xu, Y. Burton, S.D. Gao, P. Zhang, X. Matthews, B.E. Engelhard, M.H. Zhong, L. Bowden, M.E. Xiao, B. Han, K.S. Wang, C. Xu, W. (2020). ”Enabling Ether-Based Electrolytes for Long Cycle Life of Lithium-Ion Batteries at High Charge Voltage”, ACS Applied Materials and Interfaces, 12 (49), 54893-54903. DOI: 10.1021/acsami.0c18177.

Liu, X.T. Halappanavar, M. Barker, K.J. Lumsdaine, A. Gebremedhin, A.H. (2020). ”Direction-optimizing label propagation and its application to community detection”, 17th ACM International Conference on Computing Frontiers 2020, CF 2020 - Proceedings, 192-201. DOI: 10.1145/3387902.3392634.

Chen, Y. Glaesemann, K. Li, X. Palmer, B. Huang, R. Vyakaranam, B. (2020). ”A generic advanced computing framework for executing windows-based dynamic contingency analysis tool in parallel on cluster machines”, IEEE Power and Energy Society General Meeting, 2020. DOI: 10.1109/PESGM41954.2020.9281477.

Zhang, D. Guo, L. Karniadakis, G.E. (2020). ”Learning in modal space: Solving time-dependent stochastic PDEs using physics-informed neural networks”, SIAM Journal on Scientific Computing, 42 (2), A639-A665. DOI: 10.1137/19M1260141.

Flamini, F. Walschaers, M. Spagnolo, N. Wiebe, N. Buchleitner, A. Sciarrino, F. (2020). ”Validating multi-photon quantum interference with finite data”, Quantum Science and Technology, 5 (4). DOI: 10.1088/2058-9565/aba03a.

Azad, A. Aznaveh, M.M. Beamer, S. Blanco, M. Chen, J. D'Alessandro, L. Dathathri, R. Davis, T. Deweese, K. Firoz, J. Gabb, H.A. Gill, G. Hegyi, B. Kolodziej, S. Low, T.M. Lumsdaine, A. Manlaibaatar, T. Mattson, T.G. McMillan, S. Peri, R. Pingali, K. Sridhar, U. Szarnyas, G. Zhang, Y. Zhang, Y. (2020). ”Evaluation of Graph Analytics Frameworks Using the GAP Benchmark Suite”, Proceedings - 2020 IEEE International Symposium on Workload Characterization, IISWC 2020, 216-227. DOI: 10.1109/IISWC50251.2020.00029.

Peng, B. Kowalski, K. Panyala, A. Krishnamoorthy, S. (2020). ”Green's function coupled cluster simulation of the near-valence ionizations of DNA-fragments”, Journal of Chemical Physics, 152 (1). DOI: 10.1063/1.5138658.

Minutoli, M. Drocco, M. Halappanavar, M. Tumeo, A. Kalyanaraman, A. (2020). ”CuRipples: Influence maximization on multi-CPU systems”, Proceedings of the International Conference on Supercomputing. DOI: 10.1145/3392717.3392750.

Firoz, J.S. Jenkins, L. Joslyn, C. Praggastis, B. Purvine, E. Raugas, M. (2020). ”Computing hypergraph homology in chapel”, Proceedings - 2020 IEEE 34th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2020, 667-670. DOI: 10.1109/IPDPSW50202.2020.00112.

Jia, H. Gao, P. Zou, L. Han, K.S. Engelhard, M.H. He, Y. Zhang, X. Zhao, W. Yi, R. Wang, H. Wang, C. Li, X. Zhang, J.-G. (2020). ”Controlling ion coordination structure and diffusion kinetics for optimized electrode-electrolyte interphases and high-performance Si anodes”, Chemistry of Materials, 32 (20), 8956-8964. DOI: 10.1021/acs.chemmater.0c02954.

Wiebe, N. (2020). ”Key questions for the quantum machine learner to ask themselves”, New Journal of Physics, 22 (9). DOI: 10.1088/1367-2630/abac39.

Wan, H. Woodward, C.S. Zhang, S. Vogl, C.J. Stinis, P. Gardner, D.J. Rasch, P.J. Zeng, X. Larson, V.E. Singh, B. (2020). ”Improving Time Step Convergence in an Atmosphere Model With Simplified Physics: The Impacts of Closure Assumption and Process Coupling”, Journal of Advances in Modeling Earth Systems, 12 (10). DOI: 10.1029/2019MS001982.

Tan, C. Xie, C. Li, A. Barker, K.J. Tumeo, A. (2020). ”OpenCGRA: An Open-Source Unified Framework for Modeling, Testing, and Evaluating CGRAs”, Proceedings - IEEE International Conference on Computer Design: VLSI in Computers and Processors, 2020, 381-388. DOI: 10.1109/ICCD50377.2020.00070.

Aksoy S.G., K.E. Nowak, and S.J. Young. 2019. "A Linear-Time Algorithm and Analysis of Graph Relative Hausdorff Distance." SIAM Journal on Mathematics of Data Science 1, no. 4:647-666. PNNL-SA-141641. DOI:10.1137/19M1248224.

Schuld, M., Bocharov, A., Svore, K.M., Wiebe, N. (2020). Circuit-centric quantum classifiers. Physical Review A, 101 (3). DOI:10.1103/PhysRevA.101.032308.

Meng, X., Karniadakis, G.E. (2020). A composite neural network that learns from multi-fidelity data: Application to function approximation and inverse PDE problems. Journal of Computational Physics, 401. DOI: 10.1016/j.jcp.2019.109020.

Jagtap, A.D., Kawaguchi, K., Karniadakis, G.E. (2020). Adaptive activation functions accelerate convergence in deep and physics-informed neural networks. Journal of Computational Physics, 404. DOI: 10.1016/j.jcp.2019.109136.

Laureanti, J., Brandi, J., Offor, E., Engel, D., Rallo, R., Ginovska, B., Martinez, X., Baaden, M., Baker, N.A. (2020). Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS. Protein Science, 29 (1),237-246. DOI: 10.1002/pro.3773.

Gawande, N.A., Daily, J.A., Siegel, C., Tallent, N.R., Vishnu, A. (2020). Scaling Deep Learning workloads: NVIDIA DGX-1/Pascal and Intel Knights Landing. Future Generation Computer Systems, 108,1162-1172. DOI: 10.1016/j.future.2018.04.073.

Kou, E., Urquijo, P., Altmannshofer, W., Beaujean, F., Bell, G., Beneke, M., Bigi, I.I., et al. (2020). Erratum: The Belle II Physics Book (Progress of Theoretical and Experimental Physics (2019) 2019 (123C01) DOI: 10.1093/ptep/ptz106). Progress of Theoretical and Experimental Physics, 2020 (2). DOI: 10.1093/ptep/ptaa008.

Alexander, F., Almgren, A., Bell, J., Bhattacharjee, A., Chen, J., et al. (2020). Exascale applications: Skin in the game. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 378 (2166). DOI: 10.1098/rsta.2019.0056.

Drgoňa, J., Picard, D., Helsen, L. (2020). Cloud-based implementation of white-box model predictive control for a GEOTABS office building: A field test demonstration. Journal of Process Control, 88,63-77. DOI: 10.1016/j.jprocont.2020.02.007.

Darulová, J., Pauka, S.J., Wiebe, N., Chan, K.W., Gardener, G.C., Manfra, M.J., Cassidy, M.C., Troyer, M. (2020). Autonomous Tuning and Charge-State Detection of Gate-Defined Quantum Dots. Physical Review Applied, 13 (5). DOI: 10.1103/PhysRevApplied.13.054005.

Peng, B., Kowalski, K., Panyala, A., Krishnamoorthy, S. (2020). Green's function coupled cluster simulation of the near-valence ionizations of DNA-fragments. Journal of Chemical Physics, 152 (1). DOI: 10.1063/1.5138658.

Wang, Y., Xiao, Z., Hu, S., Li, Y., Shi, S.-Q. (2020). A phase field study of the thermal migration of gas bubbles in UO2 nuclear fuel under temperature gradient. Computational Materials Science, 183. DOI: 10.1016/j.commatsci.2020.109817.

Aprà, E., Bylaska, E.J., de Jong, W.A., Govind, N., Kowalski, K., Straatsma, T.P., Valiev, M., et al. (2020). NWChem: Past, present, and future. The Journal of chemical physics, 152 (18). DOI: 10.1063/5.0004997.

Abudinén, F., Adachi, I., Ahlburg, P., Aihara, H., Akopov, N., Aloisio, A., Ameli, F., Andricek, L., Anh Ky, N., et al. (2020). Measurement of the integrated luminosity of the Phase 2 data of the Belle II experiment. Chinese Physics C, 44 (2). DOI: 10.1088/1674-1137/44/2/021001.

Rehr, J.J., Vila, F.D., Kas, J.J., Hirshberg, N.Y., Kowalski, K., Peng, B. (2020). Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra. The Journal of chemical physics, 152 (17). DOI: 10.1063/5.0004865.

Bauman, N.P., Peng, B., Kowalski, K. (2020). Coupled Cluster Green's function formulations based on the effective Hamiltonians. Molecular Physics. DOI: 10.1080/00268976.2020.1725669.

Bakker, C., Bhattacharya, A., Chatterjee, S., Vrabie, D.L. (2020). Learning and Information Manipulation: Repeated Hypergames for Cyber-Physical Security. IEEE Control Systems Letters, 4 (2),295-300. DOI: 10.1109/LCSYS.2019.2925681.

Tartakovsky, A.M., Marrero, C.O., Perdikaris, P., Tartakovsky, G.D., Barajas-Solano, D. (2020). Physics-Informed Deep Neural Networks for Learning Parameters and Constitutive Relationships in Subsurface Flow Problems. Water Resources Research, 56 (5). DOI: 10.1029/2019WR026731.

Li, A., Song, S.L., Chen, J., Li, J., Liu, X., Tallent, N.R., Barker, K.J. (2020). Evaluating Modern GPU Interconnect: PCIe, NVLink, NV-SLI, NVSwitch and GPUDirect. IEEE Transactions on Parallel and Distributed Systems, 31 (1),94-110. DOI: 10.1109/TPDS.2019.2928289. 

Zhou, W., Zhou, E., Liu, G., Lin, L., Lumsdaine, A. (2020). Unsupervised Monocular Depth Estimation from Light Field Image. IEEE Transactions on Image Processing, 29,1606-1617. DOI: 10.1109/TIP.2019.2944343.

Zou, P., Lp, A., Barker, K., Ge, R. (2020). Indicator-Directed Dynamic Power Management for Iterative Workloads on GPU-Accelerated Systems. Proceedings - 20th IEEE/ACM International Symposium on Cluster, Cloud and Internet Computing, CCGRID 2020,559-568. DOI: 10.1109/CCGrid49817.2020.00-37.

Poudel, S., Sharma, P., Dubey, A., Schneider, K.P. (2020). Advanced FLISR with Intentional Islanding Operations in an ADMS Environment Using GridAPPS-D. IEEE Access, 8,113766-113778. DOI: 10.1109/ACCESS.2020.3003325.

Zhang, D., Guo, L., Karniadakis, G.E. (2020). Learning in modal space: Solving time-dependent stochastic PDEs using physics-informed neural networks. SIAM Journal on Scientific Computing, 42 (2), A639-A665. DOI: 10.1137/19M1260141.

Lin, P., Song, Q., Wu, Y., Pi, J. (2020). Repairing entities using star constraints in multirelational graphs. Proceedings - International Conference on Data Engineering, 2020, 229-240. DOI: 10.1109/ICDE48307.2020.00027.

Joslyn, C.A., Charles, L., Deperno, C., Gould, N., Nowak, K., Praggastis, B., Purvine, E., Robinson, M., Strules, J., Whitney, P. (2020). A sheaf theoretical approach to uncertainty quantification of heterogeneous geolocation information. Sensors (Switzerland), 20 (12),1-36. DOI: 10.3390/s20123418.

Wang, T., Geng, T., Li, A., Jin, X., Herbordt, M. (2020). FPDeep: Scalable Acceleration of CNN Training on Deeply-Pipelined FPGA Clusters. IEEE Transactions on Computers, 69 (8),1143-1158. DOI: 10.1109/TC.2020.3000118.

Liu, X.T., Halappanavar, M., Barker, K.J., Lumsdaine, A., Gebremedhin, A.H. (2020). Direction-optimizing label propagation and its application to community detection. 17th ACM International Conference on Computing Frontiers 2020, CF 2020 - Proceedings,192-201. DOI: 10.1145/3387902.3392634.

Chen, X., Duan, J., Karniadakis, G.E.M. (2020). Learning and meta-learning of stochastic advection-diffusion-reaction systems from sparse measurements. European Journal of Applied Mathematics. DOI: 10.1017/S0956792520000169. 

Chakraborty, I., Chen, Y., Li, J., Vrabie, D. (2020). Theoretical Development of Controller Transfer applied to Dynamical Systems. e-Energy 2020 - Proceedings of the 11th ACM International Conference on Future Energy Systems,445-453. DOI: 10.1145/3396851.3402368.

Shi, R., Dong, P., Geng, T., Ding, Y., Ma, X., So, H.K.-H., Herbordt, M., Li, A., Wang, Y. (2020). CSB-RNN: A faster-than-realtime RNN acceleration framework with compressed structured blocks. Proceedings of the International Conference on Supercomputing. DOI: 10.1145/3392717.3392749.

Flamini, F., Walschaers, M., Spagnolo, N., Wiebe, N., Buchleitner, A., Sciarrino, F. (2020). Validating multi-photon quantum interference with finite data. Quantum Science and Technology, 5 (4). DOI: 10.1088/2058-9565/aba03a.

Minutoli, M., Drocco, M., Halappanavar, M., Tumeo, A., Kalyanaraman, A. (2020). CuRipples: Influence maximization on multi-CPU systems. Proceedings of the International Conference on Supercomputing. DOI: 10.1145/3392717.3392750.

Singh, R.K., Bao, J., Wang, C., Fu, Y., Xu, Z. (2020). Hydrodynamics of countercurrent flows in a structured packed column: Effects of initial wetting and dynamic contact angle. Chemical Engineering Journal, 398. DOI: 10.1016/j.cej.2020.125548.

Hagen, A., Church, E., Strube, J., Bhattacharya, K., Amatya, V. (2020). Scaling the training of particle classification on simulated MicroBooNE events to multiple GPUs. Journal of Physics: Conference Series, 1525 (1). DOI: 10.1088/1742-6596/1525/1/012104.

Stinis, P., Lei, H., Li, J., Wan, H. (2020). Improving solution accuracy and convergence for stochastic physics parameterizations with colored noise. Monthly Weather Review, 48, 2251-2263. DOI: 10.1175/MWR-D-19-0178.1.

Li, Y., Hu, S., Barker, E., Overman, N., Whalen, S., Mathaudhu, S. (2020). Effect of grain structure and strain rate on dynamic recrystallization and deformation behavior: A phase field-crystal plasticity model. Computational Materials Science, 180. https:/doi.org/10.1016/j.commatsci.2020.109707

Stinis, P. (2020). Enforcing constraints for time series prediction in supervised, unsupervised and reinforcement learning. CEUR Workshop Proceedings, 2587. https:/doi.org/-

Sabet, A.H.N., Qiu, J., Zhao, Z., Krishnamoorthy, S. (2020). Reliability Analysis for Unreliable FSM Computations. ACM Transactions on Architecture and Code Optimization, 17 (2). https:/doi.org/10.1145/3377456

Reyes, B.C., Otero-Muras, I., Shuen, M.T., Tartakovsky, A.M., Petyuk, V.A. (2020). CRNT4SBML: a Python package for the detection of bistability in biochemical reaction networks. Bioinformatics (Oxford, England), 36 (12),3922-3924. https:/doi.org/10.1093/bioinformatics/btaa241

Joslyn, C.A., Aksoy, S., Arendt, D., Firoz, J., Jenkins, L., Praggastis, B., Purvine, E., Zalewski, M. (2020). Hypergraph analytics of domain name system relationships. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 12091,1-15. https:/doi.org/10.1007/978-3-030-48478-1_1

Arai, E., Tartakovsky, A., Holt, R.G., Grace, S., Ryan, E. (2020). Comparison of surface tension generation methods in smoothed particle hydrodynamics for dynamic systems. Computers and Fluids, 203. https:/doi.org/10.1016/j.compfluid.2020.104540

Jestilä, J.S., Denton, J.K., Perez, E.H., Khuu, T., Aprà, E., Xantheas, S.S., Johnson, M.A., Uggerud, E. (2020). Characterization of the alkali metal oxalates (MC2O4-) and their formation by CO2 reduction: Via the alkali metal carbonites (MCO2-). Physical Chemistry Chemical Physics, 22 (14),7460-7473. https:/doi.org/10.1039/d0cp00547a

Bakker, C., Webster, J.B., Nowak, K.E., Chatterjee, S., Perkins, C.J., Brigantic, R. (2020). Multi-Game Modeling for Counter-Smuggling. Reliability Engineering and System Safety, 200. https:/doi.org/10.1016/j.ress.2020.106958

Li, J., Lakshminarasimhan, M., Wu, X., Li, A., Olschanowsky, C., Barker, K. (2020). A parallel sparse tensor benchmark suite on CPUs and GPUs. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP, 403-404. https:/doi.org/10.1145/3332466.3374513

Battu, A.K., Pope, T.R., Varga, T., Christ, J.F., Fenn, M.D., Rosenthal, W.S., Kuang, W., Thomas, M., Arnold, A.M., Schram, M., Warner, M.G., Barrett, C.A., Kennedy, Z.C. (2020). Build orientation dependent microstructure in polymer laser sintering: Relationship to part performance and evolution with aging. Additive Manufacturing, 36. https:/doi.org/10.1016/j.addma.2020.101464

Zhang, X., Song, S.L., Xie, C., Wang, J., Zhang, W., Fu, X. (2020). Enabling highly efficient capsule networks processing through a PIM-based architecture design. Proceedings - 2020 IEEE International Symposium on High Performance Computer Architecture, HPCA 2020,542-555. https:/doi.org/10.1109/HPCA47549.2020.00051

Biró, C., Bosek, B., Smith, H.C., Trotter, W.T., Wang, R., Young, S.J. (2020). Planar Posets that are Accessible from Below Have Dimension at Most 6. Order. https:/doi.org/10.1007/s11083-020-09525-4

Bilbrey, J.A., Marrero, C.O., Sassi, M., Ritzmann, A.M., Henson, N.J., Schram, M. (2020). Tracking the chemical evolution of iodine species using recurrent neural networks. ACS Omega, 5 (9),4588-4594. https:/doi.org/10.1021/acsomega.9b04104

Wang, S., Huang, R., Ke, X., Zhao, J., Fan, R., Wang, H., Huang, Z., Sathanur, A., Vrabie, D. (2020). Risk-oriented PMU placement approach in electric power systems. IET Generation, Transmission and Distribution, 14 (2),301-307. https:/doi.org/10.1049/iet-gtd.2019.0957

Bilbrey, J.A., Heindel, J.P., Schram, M., Bandyopadhyay, P., Xantheas, S.S., Choudhury, S. (2020). A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters. Journal of Chemical Physics, 153 (2). https:/doi.org/10.1063/5.0009933

Xiao, Z., Wang, Y., Hu, S., Li, Y., Shi, S.-Q. (2020). A quantitative phase-field model of gas bubble evolution in UO2. Computational Materials Science, 184. https:/doi.org/10.1016/j.commatsci.2020.109867

Wang, T., Upadhyay, P., Reza-E-Rabby, M., Li, X., Li, L., Soulami, A., Kappagantula, K.S., Whalen, S. (2020). Joining of thermoset carbon fiber reinforced polymer and AZ31 magnesium alloy sheet via friction stir interlocking. International Journal of Advanced Manufacturing Technology, 109 (3-4),689-698. https:/doi.org/10.1007/s00170-020-05717-9

Aksoy, S.G., Bruillard, P., Young, S.J., Raugas, M. (2020). Ramanujan graphs and the spectral gap of supercomputing topologies. Journal of Supercomputing. https:/doi.org/10.1007/s11227-020-03291-1

Tipireddy, R., Barajas-Solano, D.A., Tartakovsky, A.M. (2020). Conditional Karhunen-Loève expansion for uncertainty quantification and active learning in partial differential equation models. Journal of Computational Physics, 418. https:/doi.org/10.1016/j.jcp.2020.109604

Pal, S., Biswas, S., Sridhar, S., Ashok, A., Hansen, J., Amatya, V. (2020). Understanding impacts of data integrity attacks on transactive control systems. 2020 IEEE Power and Energy Society Innovative Smart Grid Technologies Conference, ISGT 2020. https:/doi.org/10.1109/ISGT45199.2020.9087734

He, Q., Barajas-Solano, D., Tartakovsky, G., Tartakovsky, A.M. (2020). Physics-informed neural networks for multiphysics data assimilation with application to subsurface transport. Advances in Water Resources, 141. https:/doi.org/10.1016/j.advwatres.2020.103610

Drocco, M., Castellana, V.G., Minutoli, M. (2020). Practical Distributed Programming in C++. HPDC 2020 - Proceedings of the 29th International Symposium on High-Performance Parallel and Distributed Computing, 35-39. https:/doi.org/10.1145/3369583.3392680

Keller, M.T., Young, S.J. (2020). Hereditary semiorders and enumeration of semiorders by dimension. Electronic Journal of Combinatorics, 27 (1). https:/doi.org/10.37236/8140

Gioiosa, R., Mutlu, B.O., Lee, S., Vetter, J.S., Picierro, G., Cesati, M. (2020). The minos computing library: Efficient parallel programming for extremely heterogeneous systems. GPGPU 2020 - Proceedings of the 2020 General Purpose Processing Using GPU, 1-10. https:/doi.org/10.1145/3366428.3380770

Jagtap, A.D., Kharazmi, E., Karniadakis, G.E. (2020). Conservative physics-informed neural networks on discrete domains for conservation laws: Applications to forward and inverse problems. Computer Methods in Applied Mechanics and Engineering, 365. https:/doi.org/10.1016/j.cma.2020.113028

Esfahani, A.A., Böser, S., Buzinsky, N., Cervantes, R., Claessens, C., De Viveiros, L., Fertl, M., Formaggio, J.A., Gladstone, L., Guigue, M., Heeger, K.M., Johnston, J., Jones, A.M., Kazkaz, K., Laroque, B.H., Lindman, A., Machado, E., Monreal, B., Morrison, E.C., Nikkel, J.A., Novitski, E., Oblath, N.S., Pettus, W., Robertson, R.G.H., Rybka, G., Saldaña, L., Sibille, V., Schram, M., Slocum, P.L., Sun, Y.-H., Thümmler, T., Vandevender, B.A., Weiss, T.E., Wendler, T., Zayas, E. (2020). Cyclotron radiation emission spectroscopy signal classification with machine learning in project 8. New Journal of Physics, 22 (3). https:/doi.org/10.1088/1367-2630/ab71bd

Li, J., Tartakovsky, A.M. (2020). Gaussian process regression and conditional polynomial chaos for parameter estimation. Journal of Computational Physics, 416. https:/doi.org/10.1016/j.jcp.2020.109520

Thomas, M., Schram, M., Fox, K., Strube, J., Oblath, N.S., Rallo, R., Kennedy, Z.C., Varga, T., Battu, A.K., Barrett, C.A. (2020). Distributed heterogeneous compute infrastructure for the study of additive manufacturing systems. MRS Advances,1547-1555. https:/doi.org/10.1557/adv.2020.103

2019

Kou, E., Urquijo, P., Altmannshofer, W., Beaujean, F., Bell, G., Beneke, M., Bigi, I.I., Bishara, F., et al. (2019). The Belle II physics book. Progress of Theoretical and Experimental Physics, 2019 (12). https:/doi.org/10.1093/ptep/ptz106

Shaw, W.J., Berg, L.K., Cline, J., Draxl, C., Djalalova, I., Grimit, E.P., Lundquist, J.K., Marquis, M., McCaa, J., Olson, J.B., Sivaraman, C., Sharp, J., Wilczak, J.M. (2019). The second wind forecast improvement project (wfip2) general overview. Bulletin of the American Meteorological Society, 100 (9),1687-1699. https:/doi.org/10.1175/BAMS-D-18-0036.1

Bulgac, A., Jin, S., Roche, K.J., Schunck, N., Stetcu, I. (2019). Fission dynamics of Pu 240 from saddle to scission and beyond. Physical Review C, 100 (3). https:/doi.org/10.1103/PhysRevC.100.034615

Mayer, M., Van Lessen, V., Rohdenburg, M., Hou, G.-L., Yang, Z., Exner, R.M., Aprà, E., Azov, V.A., Grabowsky, S., Xantheas, S.S., Asmis, K.R., Wang, X.-B., Jenne, C., Warneke, J. (2019). Rational design of an argon-binding superelectrophilic anion. Proceedings of the National Academy of Sciences of the United States of America, 116 (17),8167-8172. https:/doi.org/10.1073/pnas.1820812116

Gupta, V., Lee, T., Vivek, A., Choi, K.S., Mao, Y., Sun, X., Daehn, G. (2019). A robust process-structure model for predicting the joint interface structure in impact welding. Journal of Materials Processing Technology, 264,107-118. https:/doi.org/10.1016/j.jmatprotec.2018.08.047

Stinis, P., Hagge, T., Tartakovsky, A.M., Yeung, E. (2019). Enforcing constraints for interpolation and extrapolation in Generative Adversarial Networks. Journal of Computational Physics, 397. https:/doi.org/10.1016/j.jcp.2019.07.042

Rakshit, A., Bandyopadhyay, P., Heindel, J.P., Xantheas, S.S. (2019). Atlas of putative minima and low-lying energy networks of water clusters n = 3-25. Journal of Chemical Physics, 151 (21). https:/doi.org/10.1063/1.5128378

Boyer, M.A., Marsalek, O., Heindel, J.P., Markland, T.E., McCoy, A.B., Xantheas, S.S. (2019). Beyond Badger's Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bonds. Journal of Physical Chemistry Letters, 10 (5),918-924. https:/doi.org/10.1021/acs.jpclett.8b03790

Warneke, J., Konieczka, S.Z., Hou, G.-L., Aprà, E., Kerpen, C., Keppner, F., Schäfer, T.C., Deckert, M., Yang, Z., Bylaska, E.J., Johnson, G.E., Laskin, J., Xantheas, S.S., Wang, X.-B., Finze, M. (2019). Properties of perhalogenated {: Closo -B10} and { closo -B11} multiply charged anions and a critical comparison with { closo -B12} in the gas and the condensed phase. Physical Chemistry Chemical Physics, 21 (11),5903-5915. https:/doi.org/10.1039/c8cp05313h

Esfahani, A.A., Bansal, V., Böser, S., Buzinsky, N., Cervantes, R., Claessens, C., De Viveiros, L., Doe, P.J., Fertl, M., Formaggio, J.A., Gladstone, L., Guigue, M., Heeger, K.M., Johnston, J., Jones, A.M., Kazkaz, K., Laroque, B.H., Leber, M., Lindman, A., Machado, E., Monreal, B., Morrison, E.C., Nikkel, J.A., Novitski, E., Oblath, N.S., Pettus, W., Robertson, R.G.H., Rybka, G., Saldaña, L., Sibille, V., Schram, M., Slocum, P.L., Sun, Y.-H., Tedeschi, J.R., Thümmler, T., Vandevender, B.A., Wachtendonk, M., Walter, M., Weiss, T.E., Wendler, T., Zayas, E. (2019). Electron radiated power in cyclotron radiation emission spectroscopy experiments. Physical Review C, 99 (5). https:/doi.org/10.1103/PhysRevC.99.055501

Meng, K., Li, J., Tan, G., Sun, N. (2019). A pattern based algorithmic autotuner for graph processing on GPUs. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP,201-213. https:/doi.org/10.1145/3293883.3295716

Bauman, N.P., Bylaska, E.J., Krishnamoorthy, S., Low, G.H., Wiebe, N., Granade, C.E., Roetteler, M., Troyer, M., Kowalski, K. (2019). Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms. Journal of Chemical Physics, 151 (1). https:/doi.org/10.1063/1.5094643

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Peng, B., Van Beeumen, R., Williams-Young, D.B., Kowalski, K., Yang, C. (2019). Approximate Green's Function Coupled Cluster Method Employing Effective Dimension Reduction. Journal of Chemical Theory and Computation, 15 (5),3185-3196. https:/doi.org/10.1021/acs.jctc.9b00172

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Sathanur, A.V., Sripimonwan, B., Halappanavar, M., Chatterjee, S., Ganguly, A., Clark, K. (2019). Identification of Critical Airports from the Perspective of Delay and Disruption Propagation in Air Travel Networks. 2019 IEEE International Symposium on Technologies for Homeland Security, HST 2019. https:/doi.org/10.1109/HST47167.2019.9032999

Nisa, I., Li, J., Sukumaran-Rajam, A., Rawat, P.S., Krishnamoorthy, S., Sadayappan, P. (2019). An efficient mixed-mode representation of sparse tensors. International Conference for High Performance Computing, Networking, Storage and Analysis, SC. https:/doi.org/10.1145/3295500.3356216

Suetterlein, J., Friese, R.D., Tallent, N.R., Schram, M. (2019). TAZeR: Hiding the Cost of Remote I/O in Distributed Scientific Workflows. Proceedings - 2019 IEEE International Conference on Big Data, Big Data 2019, 383-394. https:/doi.org/10.1109/BigData47090.2019.9006418

Wickramasinghe, U., Lumsdaine, A., Ekanayake, S., Swany, M. (2019). RDMA managed buffers: A case for accelerating communication bound processes via fine-grained events for zero-copy message passing. Proceedings - 2019 18th International Symposium on Parallel and Distributed Computing, ISPDC 2019, 121-130. https:/doi.org/10.1109/ISPDC.2019.00025

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Bakker, C., Nowak, K.E., Steven Rosenthal, W. (2019). Learning Koopman Operators for Systems with Isolated Critical Points. Proceedings of the IEEE Conference on Decision and Control, 2019, 7733-7739. https:/doi.org/10.1109/CDC40024.2019.9029818

Cromwell, E., Flynn, D. (2019). Lidar cloud detection with fully convoltional networks. Optics and Photonics for Sensing the Environment - Proceedings Optical Sensors and Sensing Congress (ES, FTS, HISE, Sensors). https:/doi.org/-

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Zhou, W., Zhou, E., Yan, Y., Lin, L., Lumsdaine, A. (2019). Learning Depth Cues from Focal Stack for Light Field Depth Estimation. Proceedings - International Conference on Image Processing, ICIP, 2019,1074-1078. https:/doi.org/10.1109/ICIP.2019.8804270

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Sathanur, A.V., Amatya, V., Khan, A., Rallo, R., Maass, K. (2019). Graph analytics and optimization methods for insights from the uber movement data. Proceedings of the 2nd ACM/EIGSCC Symposium on Smart Cities and Communities, SCC 2019. https:/doi.org/10.1145/3357492.3358625

Tumeo, A., Castellana, V.G., Feo, J. (2019). Foreword. Proceedings of IA3 2018: 8th Workshop on Irregular Applications: Architectures and Algorithms, Held in conjunction with SC 2018: The International Conference for High Performance Computing, Networking, Storage and Analysis , VII-VIII. https:/doi.org/10.1109/IA3.2018.00005

Khan, A., Halappanavar, M., Hagge, T., Kowalski, K., Pothen, A., Krishnamoorthy, S. (2019). Mapping Arbitrarily Sparse Two-Body Interactions on One-Dimensional Quantum Circuits. Proceedings - 26th IEEE International Conference on High Performance Computing, HiPC 2019, 52-62. https:/doi.org/10.1109/HiPC.2019.00018

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Ishiuchi, S.-I., Wako, H., Xantheas, S.S., Fujii, M. (2019). Probing the selectivity of Li+ and Na+ cations on noradrenaline at the molecular level. Faraday Discussions, 217, 396-413. https:/doi.org/10.1039/c8fd00186c

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Joardar, B.K., Ghosh, P., Pande, P.P., Kalyanaraman, A., Krishnamoorthy, S. (2019). Noc-enabled software/hardware co-design framework for accelerating k-mer counting. Proceedings of the 13th IEEE/ACM International Symposium on Networks-on-Chip, NOCS 2019. https:/doi.org/10.1145/3313231.3352367

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Tumeo, A., Castellana, V.G., Feo, J. (2019). Message from the workshop co-chairs. 2019 IEEE/ACM 9th Workshop on Irregular Applications: Architectures and Algorithms, IA3 2019. https:/doi.org/10.1109/IA349570.2019.00004

2018

Jurrus, E., Engel, D., Star, K., Monson, K., Brandi, J., Felberg, L.E., Brookes, D.H., Wilson, L., Chen, J., Liles, K., Chun, M., Li, P., Gohara, D.W., Dolinsky, T., Konecny, R., Koes, D.R., Nielsen, J.E., Head-Gordon, T., Geng, W., Krasny, R., Wei, G.-W., Holst, M.J., McCammon, J.A., Baker, N.A. (2018). Improvements to the APBS biomolecular solvation software suite. Protein Science, 27 (1),112-128. https:/doi.org/10.1002/pro.3280

Wang, L., Ye, J., Zhao, Y., Wu, W., Li, A., Song, S.L., Xu, Z., Kraska, T. (2018). SuperNeurons: Dynamic GPU memory management for training deep neural networks. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP, 41-53. https:/doi.org/10.1145/3178487.3178491

Seo, S., Amer, A., Balaji, P., Bordage, C., Bosilca, G., Brooks, A., Carns, P., Castello, A., Genet, D., Herault, T., Iwasaki, S., Jindal, P., Kale, L.V., Krishnamoorthy, S., Lifflander, J., Lu, H., Meneses, E., Snir, M., Sun, Y., Taura, K., Beckman, P. (2018). Argobots: A Lightweight Low-Level Threading and Tasking Framework. IEEE Transactions on Parallel and Distributed Systems, 29 (3),512-526. https:/doi.org/10.1109/TPDS.2017.2766062

Mukhopadhyay, A., Xantheas, S.S., Saykally, R.J. (2018). The water dimer II: Theoretical investigations. Chemical Physics Letters, 700, 163-175. https:/doi.org/10.1016/j.cplett.2018.03.057

Ling, B., Oostrom, M., Tartakovsky, A.M., Battiato, I. (2018). Hydrodynamic dispersion in thin channels with micro-structured porous walls. Physics of Fluids, 30 (7). https:/doi.org/10.1063/1.5031776

Tallent, N.R., Gawande, N.A., Siegel, C., Vishnu, A., Hoisie, A. (2018). Evaluating On-Node GPU interconnects for deep learning workloads. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 10724, 3-21. https:/doi.org/10.1007/978-3-319-72971-8_1

Ghosh, S., Halappanavar, M., Tumeo, A., Kalyanaraman, A., Lu, H., Chavarria-Miranda, D., Khan, A., Gebremedhin, A. (2018). Distributed louvain algorithm for graph community detection. Proceedings - 2018 IEEE 32nd International Parallel and Distributed Processing Symposium, IPDPS 2018, 885-895. https:/doi.org/10.1109/IPDPS.2018.00098

Song, Q., Wu, Y., Lin, P., Dong, L.X., Sun, H. (2018). Mining Summaries for Knowledge Graph Search. IEEE Transactions on Knowledge and Data Engineering, 30 (10),1887-1900. https:/doi.org/10.1109/TKDE.2018.2807442

Feldman, D.R., Collins, W.D., Biraud, S.C., Risser, M.D., Turner, D.D., Gero, P.J., Tadić, J., Helmig, D., Xie, S., Mlawer, E.J., Shippert, T.R., Torn, M.S. (2018). Observationally derived rise in methane surface forcing mediated by water vapour trends. Nature Geoscience, 11 (4),238-243. https:/doi.org/10.1038/s41561-018-0085-9

Veličković, D., Chu, R.K., Carrell, A.A., Thomas, M., Paša-Tolić, L., Weston, D.J., Anderton, C.R. (2018). Multimodal MSI in Conjunction with Broad Coverage Spatially Resolved MS2 Increases Confidence in Both Molecular Identification and Localization. Analytical Chemistry, 90 (1),702-707. https:/doi.org/10.1021/acs.analchem.7b04319

Peng, B., Kowalski, K. (2018). Green's Function Coupled-Cluster Approach: Simulating Photoelectron Spectra for Realistic Molecular Systems. Journal of Chemical Theory and Computation, 14 (8),4335-4352. https:/doi.org/10.1021/acs.jctc.8b00313

Shen, D., Li, A., Song, S.L., Liu, X. (2018). Cudaadvisor: Llvm-based runtime profiling for modern GPUs. CGO 2018 - Proceedings of the 2018 International Symposium on Code Generation and Optimization, 2018, 214-227. https:/doi.org/10.1145/3168831

Li, A., Song, S.L., Chen, J., Liu, X., Tallent, N., Barker, K. (2018). Tartan: Evaluating Modern GPU Interconnect via a Multi-GPU Benchmark Suite. 2018 IEEE International Symposium on Workload Characterization, IISWC 2018, 191-202. https:/doi.org/10.1109/IISWC.2018.8573483

Heindel, J.P., Yu, Q., Bowman, J.M., Xantheas, S.S. (2018). Benchmark Electronic Structure Calculations for H3O+(H2O)n, n = 0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction. Journal of Chemical Theory and Computation, 14 (9),4553-4566. https:/doi.org/10.1021/acs.jctc.8b00598

Ansari, T.Q., Xiao, Z., Hu, S., Li, Y., Luo, J.-L., Shi, S.-Q. (2018). Phase-field model of pitting corrosion kinetics in metallic materials. npj Computational Materials, 4 (1). https:/doi.org/10.1038/s41524-018-0089-4

Li, A., Liu, W., Wang, L., Barker, K., Song, S.L. (2018). Warp-consolidation: A novel execution model for GPUs. Proceedings of the International Conference on Supercomputing ,53-64. https:/doi.org/10.1145/3205289.3205294

Peng, B., Kowalski, K. (2018). Properties of advanced coupled-cluster Green's function. Molecular Physics, 116 (5-6),561-569. https:/doi.org/10.1080/00268976.2017.1351630

Naas, A.E., Solden, L.M., Norbeck, A.D., Brewer, H., Hagen, L.H., Heggenes, I.M., McHardy, A.C., Mackie, R.I., Paša-Tolic, L., Arntzen, M.Ø., Eijsink, V.G.H., Koropatkin, N.M., Hess, M., Wrighton, K.C., Pope, P.B. (2018). "Candidatus Paraporphyromonas polyenzymogenes" encodes multi-modular cellulases linked to the type IX secretion system. Microbiome, 6 (1). https:/doi.org/10.1186/s40168-018-0421-8

Ye, F.X.-F., Stinis, P., Qian, H. (2018). Dynamic looping of a free-draining polymer. SIAM Journal on Applied Mathematics, 78 (1),104-123. https:/doi.org/10.1137/17M1127260

Melton, R.B., Schneider, K.P., Lightner, E., McDermott, T.E., Sharma, P., Zhang, Y., Ding, F., Vadari, S., Podmore, R., Dubey, A., Wies, R.W., Stephan, E.G. (2018). Leveraging standards to create an open platform for the development of advanced distribution applications. IEEE Access, 6 ,37361-37370. https:/doi.org/10.1109/ACCESS.2018.2851186

Pan, L., Gao, P., Tervoort, E., Tartakovsky, A.M., Niederberger, M. (2018). Surface energy-driven ex situ hierarchical assembly of low-dimensional nanomaterials on graphene aerogels: A versatile strategy. Journal of Materials Chemistry A, 6 (38),18551-18560. https:/doi.org/10.1039/c8ta07338d

Nandanoori, S.P., Kundu, S., Vrabie, D., Kalsi, K., Lian, J. (2018). Prioritized Threshold Allocation for Distributed Frequency Response. 2018 IEEE Conference on Control Technology and Applications, CCTA 2018, 237-244. https:/doi.org/10.1109/CCTA.2018.8511411

Huang, R., Jin, S., Chen, Y., Diao, R., Palmer, B., Huang, Q., Huang, Z. (2018). Faster than real-time dynamic simulation for large-size power system with detailed dynamic models using high-performance computing platform. IEEE Power and Energy Society General Meeting, 2018, 1-5. https:/doi.org/10.1109/PESGM.2017.8274505

Escorihuela, L., Fernández, A., Rallo, R., Martorell, B. (2018). Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles. Food and Chemical Toxicology, 112, 518-525. https:/doi.org/10.1016/j.fct.2017.07.038

Subasi, O., Di, S., Bautista-Gomez, L., Balaprakash, P., Unsal, O., Labarta, J., Cristal, A., Krishnamoorthy, S., Cappello, F. (2018). Exploring the capabilities of support vector machines in detecting silent data corruptions. Sustainable Computing: Informatics and Systems, 19, 277-290. https:/doi.org/10.1016/j.suscom.2018.01.004

Silber, I., Verlinde, J., Eloranta, E.W., Flynn, C.J., Flynn, D.M. (2018). Polar Liquid Cloud Base Detection Algorithms for High Spectral Resolution or Micropulse Lidar Data. Journal of Geophysical Research: Atmospheres, 123 (8),4310-4322. https:/doi.org/10.1029/2017JD027840

Roy, P., Song, S.L., Krishnamoorthy, S., Vishnu, A., Sengupta, D., Liu, X. (2018). NUMA-Caffe: NUMA-Aware Deep Learning Neural Networks. ACM Transactions on Architecture and Code Optimization, 15 (2). https:/doi.org/10.1145/3199605

Zhou, W., Liang, L., Zhang, H., Lumsdaine, A., Lin, L. (2018). Scale and Orientation Aware EPI-Patch Learning for Light Field Depth Estimation. Proceedings - International Conference on Pattern Recognition, 2018- ,2362-2367. https:/doi.org/10.1109/ICPR.2018.8545490

Liu, G., Miliordos, E., Ciborowski, S.M., Tschurl, M., Boesl, U., Heiz, U., Zhang, X., Xantheas, S.S., Bowen, K. (2018). Communication: Water activation and splitting by single metal-atom anions. Journal of Chemical Physics, 149 (22). https:/doi.org/10.1063/1.5050913

Duan, Q., Al-Shaer, E., Chatterjee, S., Halappanavar, M., Oehmen, C. (2018). Proactive routing mutation against stealthy Distributed Denial of Service attacks: metrics, modeling, and analysis. Journal of Defense Modeling and Simulation, 15 (2),219-230. https:/doi.org/10.1177/1548512917731002

Setyawan, W., Cooper, M.W.D., Roche, K.J., Kurtz, R.J., Uberuaga, B.P., Andersson, D.A., Wirth, B.D. (2018). Atomistic model of xenon gas bubble re-solution rate due to thermal spike in uranium oxide. Journal of Applied Physics, 124 (7). https:/doi.org/10.1063/1.5042770

Friese, R.D., Halappanavar, M., Sathanur, A.V., Schram, M., Kerbyson, D.J., de la Torre, L. (2018). Towards Efficient Resource Allocation for Distributed Workflows Under Demand Uncertainties. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 10773, 103-121. https:/doi.org/10.1007/978-3-319-77398-8_6

Tang, Q., Xie, S., Zhang, Y., Phillips, T.J., Santanello, J.A., Cook, D.R., Riihimaki, L.D., Gaustad, K.L. (2018). Heterogeneity in Warm-Season Land-Atmosphere Coupling Over the U.S. Southern Great Plains. Journal of Geophysical Research: Atmospheres, 123 (15),7867-7882. https:/doi.org/10.1029/2018JD028463

Peng, B., Kowalski, K. (2018). Green's function coupled cluster formulations utilizing extended inner excitations. Journal of Chemical Physics, 149 (21). https:/doi.org/10.1063/1.5046529

Yang, X., Lei, H., Gao, P., Thomas, D.G., Mobley, D.L., Baker, N.A. (2018). Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations. Journal of Chemical Theory and Computation, 14 (2),759-767. https:/doi.org/10.1021/acs.jctc.7b00905

Rosenthal, W.S., Tartakovsky, A.M., Huang, Z. (2018). Ensemble Kalman Filter for Dynamic State Estimation of Power Grids Stochastically Driven by Time-Correlated Mechanical Input Power. IEEE Transactions on Power Systems, 33 (4),3701-3710. https:/doi.org/10.1109/TPWRS.2017.2764492

Blaziak, K., Tzeli, D., Xantheas, S.S., Uggerud, E. (2018). The activation of carbon dioxide by first row transition metals (Sc-Zn). Physical Chemistry Chemical Physics, 20 (39),25495-25505. https:/doi.org/10.1039/c8cp04231d

Purvine, E., Aksoy, S., Joslyn, C., Nowak, K., Praggastis, B., Robinson, M. (2018). A topological approach to representational data models. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 10904, 90-109. https:/doi.org/10.1007/978-3-319-92043-6_8

Hong, C., Sukumaran-Rajam, A., Kim, J., Rawat, P.S., Krishnamoorthy, S., Pouchet, L.-N., Rastello, F., Sadayappan, P. (2018). GPU code optimization using abstract kernel emulation and sensitivity analysis. Proceedings of the ACM SIGPLAN Conference on Programming Language Design and Implementation (PLDI),736-751. https:/doi.org/10.1145/3192366.3192397

Castallana, V.G., Minutoli, M. (2018). SHAD: The scalable high-performance algorithms and data-structures library. Proceedings - 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing, CCGRID 2018, 442-451. https:/doi.org/10.1109/CCGRID.2018.00071

Song, Q., Zong, B., Wu, Y., Tang, L.-A., Zhang, H., Jiang, G., Chen, H. (2018). TGNet: Learning to rank nodes in temporal graphs. International Conference on Information and Knowledge Management, Proceedings,97-106. https:/doi.org/10.1145/3269206.3271698

Wang, L., Ye, J., Zhao, Y., Wu, W., Li, A., Song, S.L., Xu, Z., Kraska, T. (2018). SuperNeurons: Dynamic GPU Memory Management for Training Deep Neural Networks. ACM SIGPLAN Notices, 53 (1),41-53. https:/doi.org/10.1145/3178487.3178491

Kundu, S., Ramachandran, T., Chen, Y., Vrabie, D. (2018). Optimal Energy Consumption Forecast for Grid Responsive Buildings: A Sensitivity Analysis. 2018 IEEE Conference on Control Technology and Applications, CCTA 2018, 230-236. https:/doi.org/10.1109/CCTA.2018.8511607

Kanewala, T., Zalewski, M., Lumsdaine, A. (2018). Parallel asynchronous distributed-memory maximal independent set algorithm with work ordering. Proceedings - 24th IEEE International Conference on High Performance Computing, HiPC 2017, 2017, 52-61. https:/doi.org/10.1109/HiPC.2017.00016

Aksoy, S.G., Purvine, E., Cotilla-Sanchez, E., Halappanavar, M., Lambiotte, R. (2018). A generative graph model for electrical infrastructure networks. Journal of Complex Networks, 7 (1),128-162. https:/doi.org/10.1093/comnet/cny016

Firoz, J.S., Zalewski, M., Lumsdaine, A., Barnas, M. (2018). Runtime scheduling policies for distributed graph algorithms. Proceedings - 2018 IEEE 32nd International Parallel and Distributed Processing Symposium, IPDPS 2018, 640-649. https:/doi.org/10.1109/IPDPS.2018.00073

Hou, G.-L., Govind, N., Xantheas, S.S., Wang, X.-B. (2018). Deviation from the trans-Effect in Ligand-Exchange Reactions of Zeise's Ions PtCl3(C2H4)- with Heavier Halides (Br-, I-). Journal of Physical Chemistry A, 122 (5),1209-1214. https:/doi.org/10.1021/acs.jpca.7b10808

Tipireddy, R., Stinis, P., Tartakovsky, A.M. (2018). Stochastic basis adaptation and spatial domain decomposition for partial differential equations with random coefficients. SIAM-ASA Journal on Uncertainty Quantification, 6 (1),273-301. https:/doi.org/10.1137/16M1097134

Bakker, C., Halappanavar, M., Visweswara Sathanur, A. (2018). Dynamic graphs, community detection, and Riemannian geometry. Applied Network Science, 3 (1). https:/doi.org/10.1007/s41109-018-0059-2

Hodas, N.O., Stinis, P. (2018). Doing the impossible: Why neural networks can be trained at all. Frontiers in Psychology, 9. https:/doi.org/10.3389/fpsyg.2018.01185

Barajas-Solano, D.A., Tartakovsky, A.M. (2018). Probability and cumulative density function methods for the stochastic advection-reaction equation. SIAM-ASA Journal on Uncertainty Quantification, 6 (1),180-212. https:/doi.org/10.1137/16M1109163

Lin, P., Song, Q., Shen, J., Wu, Y. (2018). Discovering graph patterns for fact checking in knowledge graphs. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 10827, 783-801. https:/doi.org/10.1007/978-3-319-91452-7_50

Kestor, G., Mutlu, B.O., Manzano, J., Subasi, O., Unsal, O., Krishnamoorthy, S. (2018). Comparative analysis of soft-error detection strategies: A case study with iterative methods. 2018 ACM International Conference on Computing Frontiers, CF 2018 - Proceedings, 173-182. https:/doi.org/10.1145/3203217.3203240

McDermott, T.E., Stephan, E.G., Gibson, T.D. (2018). Alternative Database Designs for the Distribution Common Information Model. Proceedings of the IEEE Power Engineering Society Transmission and Distribution Conference, 2018-. https:/doi.org/10.1109/TDC.2018.8440470

Kestor, G., Peng, I.B., Gioiosa, R., Krishnamoorthy, S. (2018). Understanding scale-dependent soft-error behavior of scientific applications. Proceedings - 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing, CCGRID 2018, 482-491. https:/doi.org/10.1109/CCGRID.2018.00075

Stetcu, I., Bulgac, A., Jin, S., Roche, K.J., Schunck, N. (2018). Real time description of fission. Proceedings of the 15th International Conference on Nuclear Reaction Mechanisms, NRM 2018, 197-202. https:/doi.org/-

Wickramasinghe, U., Lumsdaine, A. (2018). RMalloc() and RpIPE(): A uGNI-based distributed remote memory allocator and access library for one-sided messaging. Proceedings of the 8th International Workshop on Runtime and Operating Systems for Supercomputers, ROSS 2018 - In conjunction with HPDC 2018. https:/doi.org/10.1145/3217189.3217191

Hong, C., Sukumaran-Rajam, A., Kim, J., Rawat, P.S., Krishnamoorthy, S., Pouchet, L.-N., Rastello, F., Sadayappan, P. (2018). POSTER: Performance modeling for GPUs using abstract kernel emulation. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP, 397-398. https:/doi.org/10.1145/3178487.3178524

Subasi, O., Krishnamoorthy, S. (2018). On the theory of speculative checkpointing: Time and energy considerations. 2018 ACM International Conference on Computing Frontiers, CF 2018 - Proceedings, 165-172. https:/doi.org/10.1145/3203217.3203232

Firoz, J.S., Zalewski, M., Lumsdaine, A. (2018). POSTER: A scalable distance-1 vertex coloring algorithm for power-law graphs. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP, 391-392. https:/doi.org/10.1145/3178487.3178521

Kanewala, T.A., Zalewski, M., Lumsdaine, A. (2018). Distributed, shared-memory parallel triangle counting. Proceedings of the Platform for Advanced Scientific Computing Conference, PASC 2018. https:/doi.org/10.1145/3218176.3218229

Roy, P., Krishnamoorthy, S., Song, S.L., Liu, X. (2018). Lightweight detection of cache conflicts. CGO 2018 - Proceedings of the 2018 International Symposium on Code Generation and Optimization, 2018, 200-213. https:/doi.org/10.1145/3168819

Kowalski, K., Brabec, J., Peng, B. (2018). Regularized and Renormalized Many-Body Techniques for Describing Correlated Molecular Systems: A Coupled-Cluster Perspective. Annual Reports in Computational Chemistry, 14, 3-45. https:/doi.org/10.1016/bs.arcc.2018.06.001

Young, S.J., Makarov, Y., Diao, R., Fan, R., Huang, R., Orbrien, J., Halappanavar, M., Vallem, M., Huang, Z.H. (2018). Synthetic Power Grids from Real World Models. IEEE Power and Energy Society General Meeting, 2018-. https:/doi.org/10.1109/PESGM.2018.8585792

Escorihuela, L., Martorell, B., Rallo, R., Fernández, A. (2018). Toward computational and experimental characterisation for risk assessment of metal oxide nanoparticles. Environmental Science: Nano, 5 (10),2241-2251. https:/doi.org/10.1039/c8en00389k

Zhou, W., Li, P., Lumsdaine, A., Lin, L. (2018). Light-field flow: A subpixel-accuracy depth flow estimation with geometric occlusion model from a single light-field image. Proceedings - International Conference on Image Processing, ICIP, 2017, 1632-1636. https:/doi.org/10.1109/ICIP.2017.8296558

Bruillard, P., Ortiz-Marrero, C.M. (2018). Classification of rank 5 premodular categories. Journal of Mathematical Physics, 59 (1). https:/doi.org/10.1063/1.5020256

Hong, C., Sukumaran-Rajam, A., Kim, J., Rawat, P.S., Krishnamoorthy, S., Pouchet, L.-N., Rastello, F., Sadayappan, P. (2018). GPU code optimization using abstract kernel emulation and sensitivity analysis. ACM SIGPLAN Notices, 53 (4),736-751. https:/doi.org/10.1145/3192366.3192397

Panyala, A., Subasi, O., Halappanavar, M., Kalyanaraman, A., Chavarría-Miranda, D., Krishnamoorthy, S. (2018). Approximate Computing Techniques for Iterative Graph Algorithms. Proceedings - 24th IEEE International Conference on High Performance Computing, HiPC 2017, 2017- ,23-32. https:/doi.org/10.1109/HiPC.2017.00013

Chamberlin, J., Zalewski, M., McMillan, S., Lumsdaine, A. (2018). PyGB: GraphBLAS DSL in python with dynamic compilation into efficient C++. Proceedings - 2018 IEEE 32nd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2018, 310-319. https:/doi.org/10.1109/IPDPSW.2018.00059

Yang, X., Li, W., Tartakovsky, A. (2018). Sliced-inverse-regression-aided rotated compressive sensing method for uncertainty quantification. SIAM-ASA Journal on Uncertainty Quantification, 6 (4),1532-1554. https:/doi.org/10.1137/17M1148955

Chakraborty, I., Vrabie, D. (2018). Fault Detection for Dynamical Systems using Differential Geometric and Concurrent Learning Approach. IFAC-PapersOnLine, 51 (24),1395-1402. https:/doi.org/10.1016/j.ifacol.2018.09.552

Ritter, M., Wood, L., Kuhr, T., Bracko, M., Elsethagen, T., Fox, K., Hall, J., Pulvermacher, C., Raju, B., Schram, M., Stephan, E. (2018). Belle II Conditions Database. Journal of Physics: Conference Series, 1085 (3). https:/doi.org/10.1088/1742-6596/1085/3/032032

Chen, Y., Etingov, P., Fitzhenry, E., Sharma, P., Nguyen, T., Makarov, Y., Rice, M., Allwardt, C., Widergren, S. (2018). Bringing probabilistic analysis capability from planning to operation. Control Engineering Practice, 71, 18-25. https:/doi.org/10.1016/j.conengprac.2017.06.006

Li, W., Lian, J., Engel, D., Wang, H. (2018). Ensemble-based uncertainty quantification for coordination and control of thermostatically controlled loads. Journal of Control and Decision, 5 (2),148-168. https:/doi.org/10.1080/23307706.2017.1353931

Chen, Y., Palmer, B., Sharma, P., Yuan, Y., Mathew, B., Huang, Z. (2018). A High Performance Computational Framework for Dynamic Security Assessment under Uncertainty. Conference Record of the 3rd IEEE International Workshop on Electronic Power Grid, eGrid 2018. https:/doi.org/10.1109/eGRID.2018.8598684

Tumeo, A., Franke, H., Palermo, G., Feo, J. (2018). Guest Editorial: Special Issue on Computing Frontiers. International Journal of Parallel Programming, 46 (2),333-335. https:/doi.org/10.1007/s10766-018-0556-z

Chakraborty, I., Chakraborty, R., Vrabie, D. (2018). Generative adversarial network based autoencoder: Application to fault detection problem for closed-loop dynamical systems ∗. CEUR Workshop Proceedings, 2289. https:/doi.org/-

Tartakovsky, A.M. (2018). Effective Stochastic Model For Reactive Transport. Reactive Transport Modeling: Applications in Subsurface Energy and Environmental Problems ,511-531. https:/doi.org/10.1002/9781119060031.ch11

Ghosh, S., Halappanavar, M., Tumeo, A., Kalyanaraman, A., Gebremedhin, A.H. (2018). Scalable Distributed Memory Community Detection Using Vite. 2018 IEEE High Performance Extreme Computing Conference, HPEC 2018. https:/doi.org/10.1109/HPEC.2018.8547534

Shekar, V., Fiondella, L., Chatterjee, S., Halappanavar, M. (2018). A game-theoretic method to efficiently assess the vulnerability of a dynamic transportation network. PSAM 2018 - Probabilistic Safety Assessment and Management. https:/doi.org/-

Palmer, B. (2018). Coarse-grained hydrodynamics from correlation functions. Physical Review E, 97 (2). https:/doi.org/10.1103/PhysRevE.97.022106

Schram, M., Bansal, V., Ledesma, A. (2018). The management of heterogeneous resources in Belle II. Journal of Physics: Conference Series, 1085 (3). https:/doi.org/10.1088/1742-6596/1085/3/032006

Friese, R.D., Crowder, J.A., Siegel, H.J., Carbone, J.N. (2018). Bi-objective study for the assignment of unmanned aerial vehicles to targets. 2018 World Congress in Computer Science, Computer Engineering and Applied Computing, CSCE 2018 - Proceedings of the 2018 International Conference on Artificial Intelligence, ICAI 2018. https:/doi.org/-

Firoz, J.S., Zalewski, M., Lumsdaine, A. (2018). POSTER: A Scalable Distance-1 Vertex Coloring Algorithm for Power-Law Graphs. ACM SIGPLAN Notices, 53 (1),391-392. https:/doi.org/10.1145/3178487.3178521

Wickramasinghe, U., Lumsdaine, A. (2018). Enabling efficient inter-node message passing and remote memory access via a uGNI based light-weight network substrate for cray interconnects. Proceedings - 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing, CCGRID 2018, 578-588. https:/doi.org/10.1109/CCGRID.2018.00006

Kim, J., Sukumaran-Rajam, A., Hong, C., Panyala, A., Srivastava, R.K., Krishnamoorthy, S., Sadayappan, P. (2018). Optimizing tensor contractions in CCSD(T) for efficient execution on GPUs. Proceedings of the International Conference on Supercomputing, 96-106. https:/doi.org/10.1145/3205289.3205296

Vallem, M.R., Vyakaranam, B., Tipireddy, R., Holzer, J.T., Makarov, Y.V., Samaan, N.A. (2018). Stochastic correlation analysis to rank the impact of intermittent wind generation on unreliability margins of power systems. 2018 International Conference on Probabilistic Methods Applied to Power Systems, PMAPS 2018 - Proceedings. https:/doi.org/10.1109/PMAPS.2018.8440541

Tumeo, A. (2018). Architecture independent integrated early performance and energy estimation. 2017 8th International Green and Sustainable Computing Conference, IGSC 2017, 2017,1-6. https:/doi.org/10.1109/IGCC.2017.8323602

Chin, G., Fitzhenry, E., McBain, A., Beus, S., Marinovici, L., Hansen, J., Studarus, K. (2018). Visual steering and modeling environment for smart grid models and simulations. IEEE Power and Energy Society General Meeting, 2018,1-5. https:/doi.org/10.1109/PESGM.2017.8274093

Kassianov, E., Monroe, J., Riihimaki, L., Flynn, C., Cromwell, E., Hodges, G., McComiskey, A. (2018). Climatology of aerosol optical depth at mid-continental US site: Ground-based observations. Proceedings of SPIE - The International Society for Optical Engineering, 10786. https:/doi.org/10.1117/12.2326690

Bhatia, U., Chatterjee, S., Ganguly, A.R., Gao, J., Halappanavar, M., Oster, M., Clark, K., Brigantic, R., Tipireddy, R. (2018). Aviation Transportation, Cyber Threats, and Network-of-Networks: Modeling Perspectives for Translating Theory to Practice. 2018 IEEE International Symposium on Technologies for Homeland Security, HST 2018. https:/doi.org/10.1109/THS.2018.8574123

Kalyanaraman, A., Halappanavar, M. (2018). Guest editorial: Advances in parallel graph processing: Algorithms, architectures, and application frameworks. IEEE Transactions on Multi-Scale Computing Systems, 4 (3),188-189. https:/doi.org/10.1109/TMSCS.2018.2858297

Abdesselam, A., Adachi, I., Adamczyk, K., Ahn, J.K., Aihara, H., Al Said, S., Arinstein, K., Arita, Y., Asner, et al. (2018). Measurement of the D∗− polarization in the decay B0 → D∗−τ+ντ. 10th International Workshop on the CKM Unitarity Triangle, CKM 2018. https:/doi.org/-

Choudhury, S., Purohit, S., Lin, P., Wu, Y., Holder, L., Agarwal, K. (2018). Percolator: Scalable pattern discovery in dynamic graphs. WSDM 2018 - Proceedings of the 11th ACM International Conference on Web Search and Data Mining, 2018- ,759-762. https:/doi.org/10.1145/3159652.3160589

Subasi, O., Chang, C.-K., Erez, M., Krishnamoorthy, S. (2018). Characterizing the impact of soft errors affecting floating-point ALUs using RTL-level fault injection. ACM International Conference Proceeding Series. https:/doi.org/10.1145/3225058.3225089

Liu, Y., Chase, J.M., Gorton, I., Rice, M., Wynne, A. (2018). Modelling and coordinating multi-source distributed power system models in service-oriented architecture. International Journal of High Performance Computing and Networking, 12 (2),191-206. https:/doi.org/10.1504/ijhpcn.2018.094369

Hong, C., Sukumaran-Rajam, A., Kim, J., Rawat, P.S., Krishnamoorthy, S., Pouchet, L.-N., Rastello, F., Sadayappan, P. (2018). POSTER: Performance Modeling for GPUs using Abstract Kernel Emulation. ACM SIGPLAN Notices, 53 (1),397-398. https:/doi.org/10.1145/3178487.3178524

Young, S.J., Makarov, Y., Diao, R., Halappanavar, M., Vallem, M., Fan, R., Huang, R., Orbrien, J., Huang, Z.H. (2018). Topological Power Grid Statistics from a Network-of-Networks Perspective. IEEE Power and Energy Society General Meeting, 2018-. https:/doi.org/10.1109/PESGM.2018.8586475

Friese, R.D., Tallent, N.R., Schram, M., Halappanavar, M., Barker, K.J. (2018). Optimizing Distributed Data-Intensive Workflows. Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2018- ,279-289. https:/doi.org/10.1109/CLUSTER.2018.00045

2017

Li, Y., Hu, S., Sun, X., Stan, M. (2017). A review: Applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials. npj Computational Materials, 3 (1). https:/doi.org/10.1038/s41524-017-0018-y

Li, A., Liu, W., Kristensen, M.R.B., Vinter, B., Wang, H., Hou, K., Marquez, A., Song, S.L. (2017). Exploring and analyzing the real impact of modern on-package memory on hpc scientific kernels. Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2017. https:/doi.org/10.1145/3126908.3126931

Warneke, J., Hou, G.-L., Aprà, E., Jenne, C., Yang, Z., Qin, Z., Kowalski, K., Wang, X.-B., Xantheas, S.S. (2017). Electronic Structure and Stability of [B12X12]2- (X = F-At): A Combined Photoelectron Spectroscopic and Theoretical Study. Journal of the American Chemical Society, 139 (41),14749-14756. https:/doi.org/10.1021/jacs.7b08598

Liu, W., Li, A., Hogg, J.D., Duff, I.S., Vinter, B. (2017). Fast synchronization-free algorithms for parallel sparse triangular solves with multiple right-hand sides. Concurrency Computation, 29 (21). https:/doi.org/10.1002/cpe.4244

Peng, I.B., Gioiosa, R., Kestor, G., Cicotti, P., Laure, E., Markidis, S. (2017). Exploring the performance benefit of hybrid memory system on HPC environments. Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017, 683-692. https:/doi.org/10.1109/IPDPSW.2017.115

Peng, I.B., Gioiosa, R., Kestor, G., Cicotti, P., Laure, E., Markidis, S. (2017). RTHMS: A tool for data placement on hybrid memory system. International Symposium on Memory Management, ISMM, 128677, 82-91. https:/doi.org/10.1145/3092255.3092273

Li, A., Song, S.L., Liu, W., Liu, X., Kumar, A., Corporaal, H. (2017). Locality-aware CTA Clustering for modern GPUs. International Conference on Architectural Support for Programming Languages and Operating Systems - ASPLOS, 127193, 297-311. https:/doi.org/10.1145/3037697.3037709

Solanas, A., Casino, F., Batista, E., Rallo, R. (2017). Trends and challenges in smart healthcare research: A journey from data to wisdom. RTSI 2017 - IEEE 3rd International Forum on Research and Technologies for Society and Industry, Conference Proceedings. https:/doi.org/10.1109/RTSI.2017.8065986

Choudhury, S., Agarwal, K., Purohit, S., Zhang, B., Pirrung, M., Smith, W., Thomas, M. (2017). NOUS: Construction and querying of dynamic knowledge graphs. Proceedings - International Conference on Data Engineering, 1563-1565. https:/doi.org/10.1109/ICDE.2017.228

Ling, B., Bao, J., Oostrom, M., Battiato, I., Tartakovsky, A.M. (2017). Modeling variability in porescale multiphase flow experiments. Advances in Water Resources, 105, 29-38. https:/doi.org/10.1016/j.advwatres.2017.04.005

Ranshous, S., Joslyn, C.A., Kreyling, S., Nowak, K., Samatova, N.F., West, C.L., Winters, S. (2017). Exchange pattern mining in the bitcoin transaction directed hypergraph. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 10323, 248-263. https:/doi.org/10.1007/978-3-319-70278-0_16

Peng, I.B., Markidis, S., Laure, E., Kestor, G., Gioiosa, R. (2017). Exploring Application Performance on Emerging Hybrid-Memory Supercomputers. Proceedings - 18th IEEE International Conference on High Performance Computing and Communications, 14th IEEE International Conference on Smart City and 2nd IEEE International Conference on Data Science and Systems, HPCC/SmartCity/DSS 2016, 473-480. https:/doi.org/10.1109/HPCC-SmartCity-DSS.2016.0074

Jin, S., Bulgac, A., Roche, K., Wlazłowski, G. (2017). Coordinate-space solver for superfluid many-fermion systems with the shifted conjugate-orthogonal conjugate-gradient method. Physical Review C, 95 (4). https:/doi.org/10.1103/PhysRevC.95.044302

Gawande, N.A., Landwehr, J.B., Daily, J.A., Tallent, N.R., Vishnu, A., Kerbyson, D.J. (2017). Scaling deep learning workloads: NVIDIA DGX-1/Pascal and Intel Knights Landing. Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017, 399-408. https:/doi.org/10.1109/IPDPSW.2017.36

Varga, T., Droubay, T.C., Kovarik, L., Nandasiri, M.I., Shutthanandan, V., Hu, D., Kim, B., Jeon, S., Hong, S., Li, Y., Chambers, S.A. (2017). Coupled Lattice Polarization and Ferromagnetism in Multiferroic NiTiO3 Thin Films. ACS Applied Materials and Interfaces, 9 (26),21879-21890. https:/doi.org/10.1021/acsami.7b04481

Shigorina, E., Kordilla, J., Tartakovsky, A.M. (2017). Smoothed particle hydrodynamics study of the roughness effect on contact angle and droplet flow. Physical Review E, 96 (3). https:/doi.org/10.1103/PhysRevE.96.033115

Lu, H., Halappanavar, M., Chavarria-Miranda, D., Gebremedhin, A.H., Panyala, A., Kalyanaraman, A. (2017). Algorithms for balanced graph colorings with applications in parallel computing. IEEE Transactions on Parallel and Distributed Systems, 28 (5),1240-1256. https:/doi.org/10.1109/TPDS.2016.2620142

Bruillard, P., Galindo, C., Hagge, T., Ng, S.-H., Plavnik, J.Y., Rowell, E.C., Wang, Z. (2017). Fermionic modular categories and the 16-fold way. Journal of Mathematical Physics, 58 (4). https:/doi.org/10.1063/1.4982048

Peng, B., Kowalski, K. (2017). Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations. Journal of Chemical Theory and Computation, 13 (9),4179-4192. https:/doi.org/10.1021/acs.jctc.7b00605

Cheng, G., Choi, K.S., Hu, X.H., Sun, X. (2017). Computational material design for Q&P steels with plastic instability theory. Materials and Design, 132, 526-538. https:/doi.org/10.1016/j.matdes.2017.07.029

Douberly, G.E., Miller, R.E., Xantheas, S.S. (2017). Formation of Exotic Networks of Water Clusters in Helium Droplets Facilitated by the Presence of Neon Atoms. Journal of the American Chemical Society, 139 (11),4152-4156. https:/doi.org/10.1021/jacs.7b00510

Halappanavar, M., Lu, H., Kalyanaraman, A., Tumeo, A. (2017). Scalable static and dynamic community detection using Grappolo. 2017 IEEE High Performance Extreme Computing Conference, HPEC 2017. https:/doi.org/10.1109/HPEC.2017.8091047

Ren, B., Krishnamoorthy, S., Agrawal, K., Kulkarni, M. (2017). Exploiting vector and multicore parallelism for recursive, data- and task-parallel programs. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, PPOPP, 117-130. https:/doi.org/10.1145/3018743.3018763

Cheng, G., Hu, X.H., Choi, K.S., Sun, X. (2017). Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model. International Journal of Fracture, 207 (2),211-227. https:/doi.org/10.1007/s10704-017-0229-8

Namaki, M.H., Wu, Y., Song, Q., Lin, P., Ge, T. (2017). Discovering graph temporal association rules. International Conference on Information and Knowledge Management, Proceedings, 131841, 1697-1706. https:/doi.org/10.1145/3132847.3133014

Pan, W., Kim, K., Perego, M., Tartakovsky, A.M., Parks, M.L. (2017). Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics. Journal of Computational Physics, 334, 125-144. https:/doi.org/10.1016/j.jcp.2016.12.042

Bañares, M.A., Haase, A., Tran, L., Lobaskin, V., Oberdörster, G., Rallo, R., Leszczynski, J., Hoet, P., Korenstein, R., Hardy, B., Puzyn, T. (2017). CompNanoTox2015: novel perspectives from a European conference on computational nanotoxicology on predictive nanotoxicology. Nanotoxicology, 11 (7),839-845. https:/doi.org/10.1080/17435390.2017.1371351

Tartakovsky, A.M., Panzeri, M., Tartakovsky, G.D., Guadagnini, A. (2017). Uncertainty Quantification in Scale-Dependent Models of Flow in Porous Media. Water Resources Research, 53 (11),9392-9401. https:/doi.org/10.1002/2017WR020905

Namaki, M.H., Lin, P., Wu, Y. (2017). Event pattern discovery by keywords in graph streams. Proceedings - 2017 IEEE International Conference on Big Data, Big Data 2017, 2018, 982-987. https:/doi.org/10.1109/BigData.2017.8258019

Kordilla, J., Noffz, T., Dentz, M., Geyer, T., Tartakovsky, A.M. (2017). Effect of Unsaturated Flow Modes on Partitioning Dynamics of Gravity-Driven Flow at a Simple Fracture Intersection: Laboratory Study and Three-Dimensional Smoothed Particle Hydrodynamics Simulations. Water Resources Research, 53 (11),9496-9518. https:/doi.org/10.1002/2016WR020236

Li, A., Song, S.L., Liu, W., Liu, X., Kumar, A., Corporaal, H. (2017). Locality-aware CTA clustering for modern GPUs. ACM SIGPLAN Notices, 52 (4),297-311. https:/doi.org/10.1145/3037697.3037709

Hawley, A.K., Torres-Beltrán, M., Zaikova, E., Walsh, D.A., Mueller, A., Scofield, M., Kheirandish, S., Payne, C., Pakhomova, L., Bhatia, M., Shevchuk, O., Gies, E.A., Fairley, D., Malfatti, S.A., Norbeck, A.D., Brewer, H.M., Pasa-Tolic, L., Del Rio, T.G., Suttle, C.A., Tringe, S., Hallam, S.J. (2017). A compendium of multi-omic sequence information from the Saanich Inlet water column. Scientific Data, 4. https:/doi.org/10.1038/sdata.2017.160

Willow, S.Y., Xantheas, S.S. (2017). Molecular-Level Insight of the Effect of Hofmeister Anions on the Interfacial Surface Tension of a Model Protein. Journal of Physical Chemistry Letters, 8 (7),1574-1577. https:/doi.org/10.1021/acs.jpclett.7b00069

Peng, B., Govind, N., Aprà, E., Klemm, M., Hammond, J.R., Kowalski, K. (2017). Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes. Journal of Physical Chemistry A, 121 (6),1328-1335. https:/doi.org/10.1021/acs.jpca.6b10874

Perarnau, S., Zounmevo, J.A., Dreher, M., Essen, B.C.V., Gioiosa, R., Iskra, K., Gokhale, M.B., Yoshii, K., Beckman, P. (2017). Argo NodeOS: Toward Unified Resource Management for Exascale. Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium, IPDPS 2017, 153-162. https:/doi.org/10.1109/IPDPS.2017.25

Subasi, O., Kestor, G., Krishnamoorthy, S. (2017). Toward a General Theory of Optimal Checkpoint Placement. Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2017- ,464-474. https:/doi.org/10.1109/CLUSTER.2017.127

Cheng, G., Choi, K.S., Hu, X., Sun, X. (2017). Predicting Deformation Limits of Dual-Phase Steels Under Complex Loading Paths. JOM, 69 (6),1046-1051. https:/doi.org/10.1007/s11837-017-2333-7

Peng, I.B., Markidis, S., Gioiosa, R., Kestor, G., Laure, E. (2017). MPI Streams for HPC Applications. Advances in Parallel Computing, 30, 75-92. https:/doi.org/10.3233/978-1-61499-816-7-75

Subasi, O., Di, S., Balaprakash, P., Unsal, O., Labarta, J., Cristal, A., Krishnamoorthy, S., Cappello, F. (2017). MACORD: Online adaptive machine learning framework for silent error detection. Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2017- ,717-724. https:/doi.org/10.1109/CLUSTER.2017.128

Hamm, P., Fanourgakis, G.S., Xantheas, S.S. (2017). A surprisingly simple correlation between the classical and quantum structural networks in liquid water. Journal of Chemical Physics, 147 (6). https:/doi.org/10.1063/1.4993166

Peng, I.B., Gioiosa, R., Kestor, G., Laure, E., Markidis, S. (2017). Preparing HPC Applications for the Exascale Era: A Decoupling Strategy. Proceedings of the International Conference on Parallel Processing, 1-10. https:/doi.org/10.1109/ICPP.2017.9

Soulami, A., Burkes, D.E., Joshi, V.V., Lavender, C.A., Paxton, D. (2017). Finite-element model to predict roll-separation force and defects during rolling of U-10Mo alloys. Journal of Nuclear Materials, 494, 182-191. https:/doi.org/10.1016/j.jnucmat.2017.07.006

Li, A., Zhao, W., Song, S.L. (2017). BVF: Enabling significant on-chip power savings via bit-value-favor for throughput processors. Proceedings of the Annual International Symposium on Microarchitecture, MICRO, 131207, 532-545. https:/doi.org/10.1145/3123939.3123944

Ashraf, R.A., Gioiosa, R., Kestor, G., DeMara, R.F. (2017). Exploring the effect of compiler optimizations on the reliability of hpc applications. Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017, 1274-1283. https:/doi.org/10.1109/IPDPSW.2017.7

Tipireddy, R., Stinis, P., Tartakovsky, A.M. (2017). Basis adaptation and domain decomposition for steady-state partial differential equations with random coefficients. Journal of Computational Physics, 351, 203-215. https:/doi.org/10.1016/j.jcp.2017.08.067

Savic, V., Hector, L., Basu, U., Basudhar, A., Gandikota, I., Stander, N., Park, T., Pourboghrat, F., Choi, K.S., Sun, X., Hu, J., Abu-Farha, F., Kumar, S. (2017). Integrated Computational Materials Engineering (ICME) Multi-Scale Model Development for Advanced High Strength Steels. SAE Technical Papers, 2017- (March). https:/doi.org/10.4271/2017-01-0226

Xu, K., Schreiber, D.K., Li, Y., Johnson, B.R., McCloy, J. (2017). Effect of defects, magnetocrystalline anisotropy, and shape anisotropy on magnetic structure of iron thin films by magnetic force microscopy. AIP Advances, 7 (5). https:/doi.org/10.1063/1.4976580

Yoo, S., Xantheas, S.X. (2017). Structures, energetics, and spectroscopic fingerprints of water clusters n = 2−24. Handbook of Computational Chemistry, 1139-1173. https:/doi.org/10.1007/978-3-319-27282-5_21

Rivas-Gomez, S., Gioiosa, R., Peng, I.B., Kestor, G., Narasimhamurthy, S., Laure, E., Markidis, S. (2017). MPI windows on storage for HPC applications. ACM International Conference Proceeding Series. https:/doi.org/10.1145/3127024.3127034

Panyala, A., Chavarría-Miranda, D., Manzano, J.B., Tumeo, A., Halappanavar, M. (2017). Exploring performance and energy tradeoffs for irregular applications: A case study on the Tilera many-core architecture. Journal of Parallel and Distributed Computing, 104, 234-251. https:/doi.org/10.1016/j.jpdc.2016.06.006

Peng, B., Kowalski, K. (2017). Low-rank factorization of electron integral tensors and its application in electronic structure theory. Chemical Physics Letters, 672, 47-53. https:/doi.org/10.1016/j.cplett.2017.01.056

Tipireddy, R., Kumar, S. (2017). Spatially-degraded adhesive anchors under material uncertainty. International Journal of Adhesion and Adhesives, 76, 61-69. https:/doi.org/10.1016/j.ijadhadh.2017.02.010

Rubio-Herrero, J., Chandan, V., Siegel, C., Vishnu, A., Vrabie, D. (2017). A learning framework for control-oriented modeling of buildings. Proceedings - 16th IEEE International Conference on Machine Learning and Applications, ICMLA 2017, 2017, 473-478. https:/doi.org/10.1109/ICMLA.2017.00079

Rivas-Gomez, S., Markidis, S., Peng, I.B., Laure, E., Kestor, G., Gioiosa, R. (2017). Extending message passing interface windows to storage. Proceedings - 2017 17th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing, CCGRID 2017, 727-730. https:/doi.org/10.1109/CCGRID.2017.44

Tallent, N.R., Kerbyson, D.J., Hoisie, A. (2017). Representative paths analysis. Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2017. https:/doi.org/10.1145/3126908.3126962

Shekar, V., Fiondella, L., Chatterjee, S., Halappanavar, M. (2017). Quantitative assessment of transportation network vulnerability with dynamic traffic simulation methods. 2017 IEEE International Symposium on Technologies for Homeland Security, HST 2017. https:/doi.org/10.1109/THS.2017.7943454

Lifflander, J., Krishnamoorthy, S. (2017). Cache locality optimization for recursive programs. Proceedings of the ACM SIGPLAN Conference on Programming Language Design and Implementation (PLDI), 128414, 1-16. https:/doi.org/10.1145/3062341.3062385

Castellana, V.G., Minutoli, M., Bhatt, S., Agarwal, K., Bleeker, A., Feo, J., Chavarria-Miranda, D., Haglin, D. (2017). High-Performance Data Analytics beyond the Relational and Graph Data Models with GEMS. Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017, 1029-1038. https:/doi.org/10.1109/IPDPSW.2017.70

Sharma, V.C., Gopalakrishnan, G., Krishnamoorthy, S. (2017). PRESAGE: Protecting Structured Address Generation against Soft Errors. Proceedings - 23rd IEEE International Conference on High Performance Computing, HiPC 2016, 252-261. https:/doi.org/10.1109/HiPC.2016.037

Bulgac, A., Jin, S., Magierski, P., Roche, K., Schunck, N., Stetcu, I. (2017). Nuclear Fission: From more phenomenology and adjusted parameters to more fundamental theory and increased predictive power. EPJ Web of Conferences, 163. https:/doi.org/10.1051/epjconf/201716300007

Wang, X., Xu, Z., Soulami, A., Hu, X., Lavender, C., Joshi, V. (2017). Modeling Early-Stage Processes of U-10 Wt.%Mo Alloy Using Integrated Computational Materials Engineering Concepts. JOM, 69 (12),2532-2537. https:/doi.org/10.1007/s11837-017-2608-z

Stephan, E., Raju, B., Elsethagen, T., Pouchard, L., Gamboa, C. (2017). A scientific data provenance harvester for distributed applications. 2017 New York Scientific Data Summit, NYSDS 2017 - Proceedings. https:/doi.org/10.1109/NYSDS.2017.8085041

Subasi, O., Krishnamoorthy, S. (2017). A Gaussian Process Approach for Effective Soft Error Detection. Proceedings - IEEE International Conference on Cluster Computing, ICCC, 2017- ,608-612. https:/doi.org/10.1109/CLUSTER.2017.129

Tipireddy, R., Lerchen, M., Ramuhalli, P. (2017). Virtual sensors for robust on-line monitoring (OLM) and diagnostics. 10th International Topical Meeting on Nuclear Plant Instrumentation, Control, and Human-Machine Interface Technologies, NPIC and HMIT 2017, 2, 719-728. https:/doi.org/-

Peng, I.B., Markidis, S., Laure, E., Kestor, G., Gioiosa, R. (2017). Idle period propagation in message-passing applications. Proceedings - 18th IEEE International Conference on High Performance Computing and Communications, 14th IEEE International Conference on Smart City and 2nd IEEE International Conference on Data Science and Systems, HPCC/SmartCity/DSS 2016, 937-944. https:/doi.org/10.1109/HPCC-SmartCity-DSS.2016.0134

Amatya, V., Vishnu, A., Siegel, C., Daily, J. (2017). What does fault tolerant deep learning need from MPI?. ACM International Conference Proceeding Series. https:/doi.org/10.1145/3127024.3127037

Subasi, O., Unsal, O., Krishnamoorthy, S. (2017). Automatic risk-based selective redundancy for fault-tolerant task-parallel HPC applications. Proceedings of ESPM2 2017: 3rd International Workshop on Extreme Scale Programming Models and Middleware - Held in conjunction with SC 2017: The International Conference for High Performance Computing, Networking, Storage and Analysis. https:/doi.org/10.1145/3152041.3152083

Ceriani, M., Secchi, S., Villa, O., Tumeo, A., Palermo, G. (2017). Exploring efficient hardware support for applications with irregular memory patterns on multinode manycore architectures. IEEE Transactions on Parallel and Distributed Systems, 28 (6),1635-1648. https:/doi.org/10.1109/TPDS.2014.2345073

Saha, S., Vullikanti, A., Halappanavar, M. (2017). FlipNet: Modeling Covert and Persistent Attacks on Networked Resources. Proceedings - International Conference on Distributed Computing Systems, 2444-2451. https:/doi.org/10.1109/ICDCS.2017.298

Landwehr, J., Suetterlein, J., Manzano, J., Marquez, A., Barker, K.J., Gao, G.R. (2017). Designing scalable distributed memory models: A case study. ACM International Conference on Computing Frontiers 2017, CF 2017 ,174-182. https:/doi.org/10.1145/3075564.3077425

Ramachandran, T., Kundu, S., Chen, Y., Vrabie, D. (2017). Towards a framework for selection of supervisory control for commercial buildings: HVAC system energy efficiency. Proceedings of the American Control Conference, 2925-2930. https:/doi.org/10.23919/ACC.2017.7963395

Ward, T.B., Miliordos, E., Carnegie, P.D., Xantheas, S.S., Duncan, M.A. (2017). Ortho-para interconversion in cation-water complexes: The case of V+(H2O) and Nb+(H2O) clusters. Journal of Chemical Physics, 146 (22). https:/doi.org/10.1063/1.4984826

Singh, A., Stephan, E., Schram, M., Altintas, I. (2017). Deep learning on operational facility data related to large-scale distributed area scientific workflows. Proceedings - 13th IEEE International Conference on eScience, eScience 2017 ,586-591. https:/doi.org/10.1109/eScience.2017.94

Tipireddy, R., Chatterjee, S., Paulson, P., Oster, M., Halappanavar, M. (2017). Agent-centric approach for cybersecurity decision-support with partial observability. 2017 IEEE International Symposium on Technologies for Homeland Security, HST 2017. https:/doi.org/10.1109/THS.2017.7943478

Maglalang, J., Krishnamoorthy, S., Agrawal, K. (2017). Locality-Aware Dynamic Task Graph Scheduling. Proceedings of the International Conference on Parallel Processing ,70-80. https:/doi.org/10.1109/ICPP.2017.16

Ramuhalli, P., Tipireddy, R., Lerchen, M., Shumaker, B., Coble, J., Nair, A., Boring, S. (2017). Robust online monitoring for calibration assessment of transmitters and instrumentation. 10th International Topical Meeting on Nuclear Plant Instrumentation, Control, and Human-Machine Interface Technologies, NPIC and HMIT 2017, 2, 1176-1184. https:/doi.org/-

Bylaska, E.J., Aprà, E., Kowalski, K., Jacquelin, M., De Jong, W.A., Vishnu, A., Palmer, B., Daily, J., Straatsma, T.P., Hammond, J.R., Klemm, M. (2017). Transitioning NWChem to the next generation of manycore machines. Exascale Scientific Applications: Scalability and Performance Portability, 165-186. https:/doi.org/10.1201/b21930

Kanewala, T., Zalewski, M., Lumsdaine, A. (2017). Distributed-memory fast maximal independent set. 2017 IEEE High Performance Extreme Computing Conference, HPEC 2017. https:/doi.org/10.1109/HPEC.2017.8091032

Wood, L., Elsethagen, T., Schram, M., Stephan, E. (2017). Conditions Database for the Belle II Experiment. Journal of Physics: Conference Series, 898 (4). https:/doi.org/10.1088/1742-6596/898/4/042060

Keller, M.T., Young, S.J. (2017). Combinatorial reductions for the Stanley depth of I and S/I. Electronic Journal of Combinatorics, 24 (3). https:/doi.org/10.37236/6783

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