Showing results (1-10 of 5) with videos related to
Sort By:
Pageof 1
The Journal of Chemical Physics|August 24, 2017
H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial functionKevin Gasperich, Michael Deible, Kenneth D JordanJournal of Chemical Theory and Computation|August 30, 2024
Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap PredictionHyeondeok Shin, Kevin Gasperich, Tomas Rojas, et al.The Journal of Chemical Physics|November 14, 2020
Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamondAnouar Benali, Kevin Gasperich, Kenneth D Jordan, et al.The Journal of Chemical Physics|May 12, 2023
PluginPlay: Enabling exascale scientific software one module at a timeRyan M Richard, Kristopher Keipert, Jonathan Waldrop, et al.Journal of Chemical Theory and Computation|May 15, 2019
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of ProgramsYann Garniron, Thomas Applencourt, Kevin Gasperich, et al.Pageof 1