JANUARY 15, 2025 Journal Article The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces ( Read More )
JANUARY 15, 2025 Journal Article WFOT: a Wave Function Overlap Tool Between Single- and Multi-Reference Electronic Structure Methods for spectroscopy Simulation ( Read More )
JANUARY 8, 2025 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )
JANUARY 8, 2025 Conference Paper CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback ( Read More )
DECEMBER 31, 2024 Report High Velocity Joining of Multi-material Stacks Containing 3rd Generation Advanced High-Strength Stainless Steel and Aluminum Extrusion and Casting - CRADA 628 (Abstract) ( Read More )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( Read More )
DECEMBER 19, 2024 Journal Article Implications of an Emission Trading Scheme for India’s Net-Zero Strategy: A modelling-based assessment ( Read More )
DECEMBER 13, 2024 Journal Article Effects of Processing Temperature, Pressure, and Fiber Volume Fraction on Mechanical and Morphological Behaviors of Fully-recyclable Uni-directional Thermoplastic Polymer-fiber-reinforced Polymers ( Read More )
DECEMBER 11, 2024 Book Chapter Breaking Boundaries: Deformation Processing Techniques for the Next Generation of Lightweight and High-Strength Materials ( Read More )
DECEMBER 10, 2024 Journal Article Coupled management of electric vehicle workplace charging and office building loads ( Read More )
DECEMBER 7, 2024 Journal Article Room Temperature Stamping of High-strength Aluminum for Light-weight Structural Automotive Components ( Read More )
NOVEMBER 18, 2024 Journal Article Lithium nitrate salt-assisted CO2 absorption for the formation of corrosion barrier layer on AZ91D magnesium alloy ( Read More )
NOVEMBER 18, 2024 Journal Article RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions ( Read More )
NOVEMBER 18, 2024 Journal Article Challenges and Opportunities in Deep Reinforcement Learning with Graph Neural Networks: A Comprehensive review of Algorithms and Applications ( Read More )
NOVEMBER 18, 2024 Journal Article Affinity of Nicotinoids to a Model Nicotinic Acetylcholine Receptor (nAChR) Binding Pocket in the Human Brain ( Read More )
NOVEMBER 18, 2024 Journal Article The gas phase protonation sites of six naturally occurring nicotinoids ( Read More )
NOVEMBER 18, 2024 Report Developing Capabilities in Physical and Computational Sciences ( Read More )
OCTOBER 4, 2024 Journal Article Constitutive Model Development of Aluminum Alloy 1100 for Elevated Temperature Forming Process ( Read More )
SEPTEMBER 27, 2024 Journal Article Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4- Dinitroanisole (DNAN) ( Read More )