FEBRUARY 15, 2024 Journal Article Development and Testing of a Fission-like Neutron Field for Dosimetry and Instrument Calibrations based on Deuterium-Tritium Generator ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( 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 Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
FEBRUARY 15, 2024 Journal Article ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements ( Read More )
NOVEMBER 9, 2023 Journal Article EPR-BASED UNCERTAINTY VALIDATION OF THE CALCULATED EXTERNAL DOSES FOR POPULATION EXPOSED IN THE URALS REGION ( 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 12, 2023 Journal Article Characterization of the Fast-Neutron Irradiator and the Fast-Flux Tube Irradiation Fixtures at the Pennsylvania State Breazeale Reactor ( 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 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 )
JULY 14, 2023 Conference Paper Radiation Damage Studies on Titanium Alloys as High Intensity Proton Accelerator Beam Window Materials ( Read More )
JUNE 30, 2023 Journal Article Ab initio Simulations of Tritium Diffusion in Al-rich Iron Aluminide Coating Phases ( Read More )
JUNE 29, 2023 Report A Fission-like Neutron Spectrum Shaping Assembly based on D-T Generator ( Read More )
JUNE 23, 2023 Journal Article Disentangling the Confounding Spectroscopy of C1 Molecules: Without Symmetry as a Guide, Everything is Allowed ( Read More )