MAY 5, 2023 Journal Article Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface ( Read More )
APRIL 11, 2023 Journal Article High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation ( 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 )
MARCH 1, 2023 Report Manufacturing Supply Chain Development for Modular Solar-Thermochemical Conversion Platform - CRADA 387 (Final Report) ( 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 19, 2023 Conference Paper System Analysis Modeling and Intermodal Transportation for Commercial Spent Nuclear Fuel ( Read More )
JANUARY 13, 2023 Journal Article Tempering kinetics during multilayer laser additive manufacturing of a ferritic steel ( Read More )