FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Report LightMAT - Pediction of Aluminum/Steel Joint Failure - CRADA 405 (Abstract) ( Read More )
FEBRUARY 15, 2024 Journal Article Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( 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 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 1, 2023 Journal Article Influence of microstructural heterogeneities on small-scale mechanical properties of an additively manufactured Al-Ce-Ni-Mn alloy ( Read More )
JUNE 30, 2023 Journal Article A Review of the Fabrication Methods and Mechanical Behavior of Continuous Thermoplastic Polymer Fiber - Thermoplastic Polymer Matrix Composites ( 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 Journal Article Effect of Initial Water Saturation on the Performance of Fracturing Fluids with and Without Polyallylamine under Simulated EGS Conditions ( Read More )
JUNE 23, 2023 Journal Article Disentangling the Confounding Spectroscopy of C1 Molecules: Without Symmetry as a Guide, Everything is Allowed ( Read More )
JUNE 23, 2023 Report First-Principles Study of Tritium Trapping by Point Defects in Fe-Al 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 )
JUNE 22, 2023 Journal Article Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer ( Read More )
JUNE 11, 2023 Journal Article Isotope effects in the Zundel-Eigen Isomerization of H+(H2O)6 ( Read More )
JUNE 9, 2023 Conference Paper Solid Phase Processing of Mg-Al-Mn-Ca for High Strength and Ductility ( Read More )
MAY 5, 2023 Journal Article Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface ( Read More )