MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
FEBRUARY 14, 2025 Journal Article A New Coupled Biogeochemical Modeling Approach Provides Accurate Predictions of Methane and Carbon Dioxide Fluxes Across Diverse Tidal Wetlands ( Read More )
FEBRUARY 11, 2025 Journal Article Debunking Common Myths in Coastal Circulation Modeling ( Read More )
JANUARY 15, 2025 Journal Article Mixing and dilution controls on marine CO2 removal using alkalinity enhancement ( 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 Conference Paper CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback ( Read More )
JANUARY 8, 2025 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )
JANUARY 3, 2025 Journal Article Interactive effects of salinity, redox, and colloids on greenhouse gas production and carbon mobility in coastal wetland soils ( 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 19, 2024 Journal Article Quantifying the Influence of Size, Shape, and Density of Microplastics on Their Transport Modes: A Modeling Approach ( 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 RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions ( 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 Hydrokinetic Tidal Energy Resource Assessment following International Electrotechnical Commission Guidelines ( Read More )
NOVEMBER 18, 2024 Report CEERP SM3 Research, Monitoring, and Evaluation Workshop: Summary Report ( Read More )
NOVEMBER 18, 2024 Report Developing Capabilities in Physical and Computational Sciences ( Read More )
NOVEMBER 18, 2024 Journal Article The gas phase protonation sites of six naturally occurring nicotinoids ( Read More )
NOVEMBER 18, 2024 Journal Article Response of salt intrusion in a tidal estuary to regional climatic forcing ( Read More )