MARCH 15, 2024 Journal Article Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units ( Read More )
MARCH 15, 2024 Journal Article Chemical composition based machine learning model to predict defect formation in additive manufacturing ( Read More )
FEBRUARY 22, 2024 Journal Article 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. 156, 244303 (2022)] ( Read More )
FEBRUARY 20, 2024 Journal Article Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Journal Article Influence of carbon nanotubes on microstructure and corrosion performance of additively manufactured 316L stainless steel ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements ( Read More )
FEBRUARY 15, 2024 Journal Article Impacts of Future Nuclear Power Generation on the International Monitoring System ( Read More )
FEBRUARY 15, 2024 Report Development of Transformational Solvents for CO2 Separations - CRADA 363 (Abstract) ( Read More )
FEBRUARY 15, 2024 Report Advancing Continuous Manufacturing of Metal Organic Frameworks - CRADA 384 (Abstract) ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Journal Article Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
FEBRUARY 15, 2024 Journal Article Stakeholder-driven carbon neutral pathways for Thailand and Bangkok: Integrated assessment modeling to inform multilevel climate governance ( Read More )
FEBRUARY 15, 2024 Report Surface Acoustic Wave Sensor for Refrigerant Leak Detection - CRADA 402 (Abstract) ( Read More )
FEBRUARY 15, 2024 Journal Article Gradient process parameter optimization in additive friction stir deposition of aluminum alloys ( Read More )
NOVEMBER 11, 2023 Journal Article Intergranular corrosion of feedstock modified – additively manufactured stainless steel after sensitization ( Read More )