APRIL 8, 2025 Journal Article Pairing a global optimization algorithm with EXAFS to characterize lanthanide structures in solution ( Read More )
MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
FEBRUARY 20, 2025 Journal Article Changes in soil water content and lateral flow exert large effects on soil thermal dynamics across Alaskan landscapes ( Read More )
JANUARY 29, 2025 Journal Article Scenario storyline discovery for planning in multi-actor human-natural systems confronting change ( Read More )
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 27, 2024 Journal Article Optimal control of polar sea-ice near its tipping points ( Read More )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( Read More )
DECEMBER 24, 2024 Report Quality Assurance Project Plan for the Salish Sea Model – Continuing Development of New Capabilities and Applications: European Green Crab (EGC) Larval Transport, Coupling to VELMA and Atlantis, Performance Improvements and Diagnostic Applications ( Read More )
DECEMBER 24, 2024 Journal Article Impacts of topography-based subgrid scheme and downscaling of atmospheric forcing on modeling land surface processes in the conterminous US ( Read More )
DECEMBER 18, 2024 Journal Article The High-resolution Urban Meteorology for Impacts Dataset (HUMID) over the Conterminous United States ( 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 A framework for ensemble modelling of climate change impacts on lakes worldwide: the ISIMIP Lake Sector ( 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 Journal Article RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions ( Read More )
NOVEMBER 18, 2024 Report Developing Capabilities in Physical and Computational Sciences ( Read More )
OCTOBER 10, 2024 Journal Article A multi-algorithm approach for modeling coastal wetland eco-geomorphology ( Read More )