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The Journal of Chemical Physics|May 3, 2020
Fast transformations between configuration state function and Slater determinant bases for direct configuration interactionB Scott Fales, Todd J MartínezJournal of Chemical Theory and Computation|January 30, 2020
Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration InteractionB Scott Fales, Todd J MartínezThe Journal of Chemical Physics|February 9, 2022
Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudesEdward G Hohenstein, B Scott Fales, Robert M Parrish, et al.Journal of Chemical Theory and Computation|July 21, 2020
PySpawn: Software for Nonadiabatic Quantum Molecular DynamicsDmitry A Fedorov, Stefan Seritan, B Scott Fales, et al.Journal of Chemical Theory and Computation|June 12, 2018
Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration InteractionB Scott Fales, Stefan Seritan, Nick F Settje, et al.Journal of Chemical Theory and Computation|November 18, 2015
Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing unitsB Scott Fales, Benjamin G LevineJournal of Chemical Theory and Computation|June 23, 2020
Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing ArchitecturesB Scott Fales, Ethan R Curtis, K Grace Johnson, et al.Nano Letters|August 21, 2015
Defect-Induced Conical Intersections Promote Nonradiative RecombinationYinan Shu, B Scott Fales, Benjamin G LevineJournal of Chemical Theory and Computation|July 10, 2018
Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration InteractionWei-Tao Peng, B Scott Fales, Benjamin G LevineJournal of Chemical Theory and Computation|August 4, 2017
Robust and Efficient Spin Purification for Determinantal Configuration InteractionB Scott Fales, Edward G Hohenstein, Benjamin G LevinePageof 19