MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
FEBRUARY 13, 2025 Journal Article Uranium Measurements in the Field Using High-Resolution Cadmium Zinc Telluride Detectors ( Read More )
FEBRUARY 12, 2025 Journal Article Time-interval distributions in a digital gamma multi-channel analyzer at extreme input rates ( 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 )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( Read More )
DECEMBER 11, 2024 Conference Paper Activities at Pacific Northwest National Laboratory to Advance Nuclear Radiation Science among Underrepresented STEM Students ( Read More )
NOVEMBER 19, 2024 Journal Article A new method for quantifying 64Cu in nuclear debris samples ( 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 )
NOVEMBER 18, 2024 Report The Radiation Detection for Nuclear Security Summer School: Fiscal Year 2024 Report ( Read More )
SEPTEMBER 27, 2024 Journal Article Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4- Dinitroanisole (DNAN) ( Read More )
SEPTEMBER 19, 2024 Journal Article Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities ( Read More )
SEPTEMBER 19, 2024 Journal Article 239Pu Fission Spectrum Cumulative Fission Product Yield Measurement Using Godiva IV Critical Assembly ( Read More )
SEPTEMBER 19, 2024 Journal Article PUFFIn – A user friendly fast interface for calculating and visualizing the dose distribution in materials ( Read More )