MAY 13, 2025 Conference Paper Improving Property Graph Layouts by Leveraging Attribute Similarity for Structurally Equivalent Nodes ( Read More )
MAY 9, 2025 Journal Article Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering ( Read More )
MAY 6, 2025 Conference Paper ICED: An Integrated CGRA Framework Enabling DFVS-Aware Acceleration ( Read More )
MAY 6, 2025 Journal Article Proton Diffusion and Hydrogen/Deuterium Exchange in Amorphous Solid Water at Temperatures from 114 to 134 K ( Read More )
MAY 2, 2025 Journal Article Colloidal phenomena reflect the interplay between interfacial solution structure, interparticle forces, and dynamical response ( Read More )
MAY 2, 2025 Journal Article Shake Loss Intensities in X-ray Photoelectron Spectroscopy: Theory, Experiment, and Atomic Composition Accuracy for MgO and Related Compounds ( Read More )
MAY 2, 2025 Conference Paper Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays ( Read More )
MAY 1, 2025 Conference Paper A Performance and Energy Study of GPU-Resident Preconditioners for Conjugate Gradient Solvers: In the Context of Existing and Novel Approaches ( Read More )
MAY 1, 2025 Journal Article Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes ( Read More )
APRIL 26, 2025 Conference Paper Shifting Between Compute and Memory Bounds: A Compression-Enabled Roofline Model ( Read More )
APRIL 26, 2025 Journal Article Anion-Cation-Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy ( Read More )
APRIL 26, 2025 Conference Paper Distributed Order Recording Techniques for Efficient Record-and-Replay of Multi-threaded Programs ( Read More )
APRIL 25, 2025 Conference Paper DaYu: Optimizing Distributed Scientific Workflows by Decoding Dataflow Semantics and Dynamics ( Read More )
APRIL 25, 2025 Journal Article Formation, Chemical Evolution, and Solidification of the Dense Liquid Phase of Calcium (Bi)carbonate ( Read More )
APRIL 23, 2025 Journal Article Exploring Direct Photodetachment and Photodissociation- Photodetachment Dynamics of Platinum Iodide Anions (PtIn¯, n=2-5) Using Cryogenic Photoelectron Spectroscopy ( Read More )
APRIL 23, 2025 Journal Article A spatially-resolved model of neutron-irradiated Tungsten coupling Stochastic Cluster Dynamics and Finite Deformation Plasticity ( Read More )
APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 18, 2025 Journal Article Theoretical prediction of materials with diffuse electrons with possible applications in redox catalysis and quantum computing ( Read More )
APRIL 10, 2025 Journal Article Elucidation of a Metastable p(2×1) O Atom Adlayer Structure on Cu(111) ( Read More )