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Bryan Scott Fales
Bryan Scott Fales
Postdoctoral Scholar, PULSE Institute and Department of Chemistry, Stanford University
在 slac.stanford.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics
S Seritan, C Bannwarth, BS Fales, EG Hohenstein, CM Isborn, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1494, 2021
2422021
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
S Seritan, C Bannwarth, BS Fales, EG Hohenstein, ...
The Journal of chemical physics 152 (22), 2020
1132020
Nanoscale multireference quantum chemistry: Full configuration interaction on graphical processing units
BS Fales, BG Levine
Journal of Chemical Theory and Computation 11 (10), 4708-4716, 2015
952015
Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields
N Ekanayake, M Nairat, B Kaderiya, P Feizollah, B Jochim, T Severt, ...
Scientific reports 7 (1), 4703, 2017
802017
Defect-induced conical intersections promote nonradiative recombination
Y Shu, BS Fales, BG Levine
Nano letters 15 (9), 6247-6253, 2015
662015
A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units
JW Snyder, BS Fales, EG Hohenstein, BG Levine, TJ Martínez
The Journal of chemical physics 146 (17), 2017
622017
Simulating electron dynamics of complex molecules with time-dependent complete active space configuration interaction
WT Peng, BS Fales, BG Levine
Journal of chemical theory and computation 14 (8), 4129-4138, 2018
392018
Conical intersections at the nanoscale: Molecular ideas for materials
BG Levine, MP Esch, BS Fales, DT Hardwick, WT Peng, Y Shu
Annual Review of Physical Chemistry 70 (1), 21-43, 2019
372019
Understanding nonradiative recombination through defect-induced conical intersections
Y Shu, BS Fales, WT Peng, BG Levine
The Journal of Physical Chemistry Letters 8 (17), 4091-4099, 2017
342017
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
BS Fales, Y Shu, BG Levine, EG Hohenstein
The Journal of chemical physics 147 (9), 2017
332017
Dynamics of recombination via conical intersection in a semiconductor nanocrystal
WT Peng, BS Fales, Y Shu, BG Levine
Chemical Science 9 (3), 681-687, 2018
302018
Large-scale electron correlation calculations: Rank-reduced full configuration interaction
BS Fales, S Seritan, NF Settje, BG Levine, H Koch, TJ Martínez
Journal of Chemical Theory and Computation 14 (8), 4139-4150, 2018
282018
Performance of coupled-cluster singles and doubles on modern stream processing architectures
BS Fales, ER Curtis, KG Johnson, D Lahana, S Seritan, Y Wang, H Weir, ...
Journal of Chemical Theory and Computation 16 (7), 4021-4028, 2020
242020
Efficient treatment of large active spaces through multi-GPU parallel implementation of direct configuration interaction
BS Fales, TJ Martínez
Journal of Chemical Theory and Computation 16 (3), 1586-1596, 2020
242020
Infrared multiple photon dissociation action spectroscopy and theoretical studies of diethyl phosphate complexes: Effects of protonation and sodium cationization on structure
BS Fales, NO Fujamade, Y Nei, J Oomens, MT Rodgers
Journal of the American Society for Mass Spectrometry 22 (1), 81-92, 2011
242011
Robust and efficient spin purification for determinantal configuration interaction
BS Fales, EG Hohenstein, BG Levine
Journal of Chemical Theory and Computation 13 (9), 4162-4172, 2017
222017
Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes
EG Hohenstein, BS Fales, RM Parrish, TJ Martínez
The Journal of Chemical Physics 156 (5), 2022
212022
Infrared multiple photon dissociation action spectroscopy and theoretical studies of triethyl phosphate complexes: effects of protonation and sodium cationization on structure
BS Fales, NO Fujamade, J Oomens, MT Rodgers
Journal of The American Society for Mass Spectrometry 22 (10), 2011
202011
PySpawn: Software for nonadiabatic quantum molecular dynamics
DA Fedorov, S Seritan, BS Fales, TJ Martínez, BG Levine
Journal of Chemical Theory and Computation 16 (9), 5485-5498, 2020
182020
Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction
BS Fales, TJ Martínez
The Journal of Chemical Physics 152 (16), 2020
152020
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