FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( 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 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Journal Article ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements ( Read More )
OCTOBER 25, 2023 Journal Article Quantifying the impact of electric fields on the local structure and migration of potassium ions at the orthoclase (001) surface ( Read More )
OCTOBER 10, 2023 Report Graman: Graph Network Based Simulator for Forecasting Molecular Polarizability ( Read More )
SEPTEMBER 22, 2023 Report Ab Initio Simulations of Tritium Diffusion in Al2O and Intermetallic Al12(TM)2.34 Aluminide Coating Phases ( Read More )
SEPTEMBER 20, 2023 Journal Article An Integrated Simulation of Multiple-Pass U-10Mo Alloy Hot Rolling and Static Recrystallization ( Read More )
SEPTEMBER 14, 2023 Journal Article A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions ( Read More )
SEPTEMBER 7, 2023 Journal Article Microstructure and microchemistry changes at U-10Mo fuel/AA6061 cladding interfaces with varying hot isostatic pressing conditions ( Read More )
AUGUST 17, 2023 Journal Article Integrated Simulation of U-10Mo Monolithic Fuel Swelling Behavior ( Read More )
JULY 15, 2023 Report Plan for Development and Application of Risk Assessment Approach for Transportation Package Approval of an MNPP for Domestic Highway Shipment ( Read More )
JULY 14, 2023 Conference Paper Characterization of the Aerosol Source Term in Dry Storage Canisters ( Read More )
JULY 13, 2023 Report Microstructural Characterization of As-Cast MP-1 Experiment U-10Mo Alloy ( Read More )
JUNE 30, 2023 Journal Article Ab initio Simulations of Tritium Diffusion in Al-rich Iron Aluminide Coating Phases ( Read More )
JUNE 23, 2023 Journal Article Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy ( Read More )