Bryan Scott Fales
Bryan Scott Fales
Postdoctoral Scholar, PULSE Institute and Department of Chemistry, Stanford University
Verified email at slac.stanford.edu
Title
Cited by
Cited by
Year
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
682015
Defect-induced conical intersections promote nonradiative recombination
Y Shu, BS Fales, BG Levine
Nano letters 15 (9), 6247-6253, 2015
452015
A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units
JW Snyder Jr, BS Fales, EG Hohenstein, BG Levine, TJ Martínez
The Journal of Chemical Physics 146 (17), 174113, 2017
282017
Mechanisms and time-resolved dynamics for trihydrogen cation (H 3+) formation from organic molecules in strong laser fields
N Ekanayake, M Nairat, B Kaderiya, P Feizollah, B Jochim, T Severt, ...
Scientific reports 7 (1), 1-12, 2017
252017
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), 094104, 2017
222017
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
212011
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
202017
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
182018
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
172011
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
132018
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, 21-43, 2019
122019
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
122018
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
122017
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
62020
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), 224110, 2020
52020
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
22020
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
12020
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), 164111, 2020
12020
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, e1494, 2020
2020
Electronic and Structural Comparisons between Iron (II/III) and Ruthenium (II/III) Imide Analogs
KE Aldrich, BS Fales, AK Singh, RJ Staples, BG Levine, J McCracken, ...
Inorganic chemistry 58 (17), 11699-11715, 2019
2019
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Articles 1–20