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 )
MAY 5, 2023 Journal Article Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface ( Read More )
APRIL 13, 2023 Journal Article Diffusion-assisted growth of periodic patterns on metal surfaces ( Read More )
APRIL 11, 2023 Journal Article High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation ( Read More )
APRIL 4, 2023 Conference Paper EGS Stimulation Design with Uncertainty Quantification at the EGS Collab Site ( Read More )
MARCH 31, 2023 Journal Article Coupled effect of Cr and Al on interactions between a prismatic interstitial dislocation loop and an edge dislocation line in Fe-Cr-Al alloy ( Read More )
MARCH 23, 2023 Journal Article Active Sampling for Neural Network Potentials: Accelerated Simulations of Shear-induced Deformation in Cu-Ni Multilayers ( Read More )
FEBRUARY 18, 2023 Journal Article An initial investigation of accuracy required for the identifcation of small molecules in complex samples using quantum chemical calculated NMR chemical shifts ( Read More )
JANUARY 20, 2023 Journal Article Fock-space Schrieffer-Wolff transformation: classically-assisted rank-reduced quantum phase estimation algorithm. ( Read More )
JANUARY 13, 2023 Journal Article Density functional theory study of formation and diffusion of hydrogen, deuterium, and tritium in Pd-V intermetallic compounds ( Read More )
MAY 27, 2022 Journal Article Helium interaction with solutes and impurities in neutron-irradiated nanostructured ferritic alloys: A first principles study ( Read More )
APRIL 15, 2022 Journal Article Effect of Cr and Al on elastic constants of FeCrAl alloys investigated by molecular dynamics method ( Read More )
APRIL 15, 2022 Journal Article Laser Powder Bed Fusion Additive Manufacturing of Oxide Dispersion Strengthened Steel using Gas Atomized Reaction Synthesis Powder ( Read More )
DECEMBER 1, 2021 Journal Article Neutron Activation and Radiation Damage Assessment for W-Ni-Fe Tungsten Heavy Alloys with Variable Ni Content ( Read More )