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B

B. Scott Fales

michigan state university

18H指数
33论文数
1.2K被引数
收录论文 20
发表时间
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Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-01
err28
errOAAI
errHohenstein, Edward G.; Fales, B. Scott; Parrish, Robert M.; Martinez, Todd J.
err分享
err收藏
TeraChem: A graphical processing unit-acceleratedelectronic structure package forlarge-scaleab initio molecular dynamics
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2020-07-26
err223
errOAAI
errSeritan, Stefan; Bannwarth, Christoph; Fales, Bryan S.; Hohenstein, Edward G.; Isborn, Christine M.; Kokkila-Schumacher, Sara I. L.; Li, Xin; Liu, Fang; Luehr, Nathan; Snyder, James W., Jr.; Song, Chenchen; Titov, Alexey, V; Ufimtsev, Ivan S.; Wang, Lee-Ping; Martinez, Todd J.
err分享
err收藏
PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-20
err19
errOAAI
errFedorov, Dmitry A.; Seritan, Stefan; Fales, B. Scott; Martinez, Todd J.; Levine, Benjamin G.
err分享
err收藏
Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-20
err25
PREAI
errFales, B. Scott; Curtis, Ethan R.; Johnson, K. Grace; Lahana, Dean; Seritan, Stefan; Wang, Yuanheng; Weir, Hayley; Martinez, Todd J.; Hohenstein, Edward G.
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TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-12
err113
errOAAI
errSeritan, Stefan; Bannwarth, Christoph; Fales, B. Scott; Hohenstein, Edward G.; Kokkila-Schumacher, Sara I. L.; Luehr, Nathan; Snyder, James W., Jr.; Song, Chenchen; Titov, Alexey, V; Ufimtsev, Ivan S.; Martinez, Todd J.
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err收藏
Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-28
err16
errOAAI
errFales, B. Scott; Martinez, Todd J.
err分享
err收藏
Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-01-29
err23
errOAAI
errFales, B. Scott; Martinez, Todd J.
err分享
err收藏
Electronic and Structural Comparisons between Iron(II/III) and Ruthenium(II/III) Imide Analogs
errINORGANIC CHEMISTRY
IF4.7
err2019-08-12
err10
PREAI
errAldrich, Kelly E.; Fales, B. Scott; Singh, Amrendra K.; Staples, Richard J.; Levine, Benjamin G.; McCracken, John; Smith, Milton R., III; Odom, Aaron L.
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err收藏
Conical Intersections at the Nanoscale: Molecular Ideas for Materials
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF0
err2019-06-14
err34
errOAAI
errLevine, Benjamin G.; Esch, Michael P.; Fales, B. Scott; Hardwick, Dylan T.; Peng, Wei-Tao; Shu, Yinan
err分享
err收藏
Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-07-09
err38
errOAAI
errPeng, Wei-Tao; Fales, B. Scott; Levine, Benjamin G.
err分享
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Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-06-11
err29
errOAAI
errFales, B. Scott; Seritan, Stefan; Settje, Nick F.; Levine, Benjamin G.; Koch, Henrik; Martinez, Todd J.
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Dynamics of recombination via conical intersection in a semiconductor nanocrystal
errCHEMICAL SCIENCE
IF7.4
err2018-01-01
err29
errOAAI
errPeng, Wei-Tao; Fales, B. Scott; Shu, Yinan; Levine, Benjamin G.
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err收藏
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-09-06
err32
PREAI
errFales, B. Scott; Shu, Yinan; Levine, Benjamin G.; Hohenstein, Edward G.
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err收藏
Robust and Efficient Spin Purification for Determinantal Configuration Interaction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-08-18
err23
PREAI
errFales, B. Scott; Hohenstein, Edward G.; Levine, Benjamin G.
err分享
err收藏
Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields
errSCIENTIFIC REPORTS
IF3.9
err2017-07-05
err77
errOAAI
errEkanayake, Nagitha; Nairat, Muath; Kaderiya, Balram; Feizollah, Peyman; Jochim, Bethany; Severt, Travis; Berry, Ben; Pandiri, Kanaka Raju; Carnes, Kevin D.; Pathak, Shashank; Rolles, Daniel; Rudenko, Artem; Ben-Itzhak, Itzik; Mancuso, Christopher A.; Fales, B. Scott; Jackson, James E.; Levine, Benjamin G.; Dantus, Marcos
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A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-05-04
err61
PREAI
errSnyder, James W., Jr.; Fales, B. Scott; Hohenstein, Edward G.; Levine, Benjamin G.; Martinez, Todd J.
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err收藏
Nanoscale Multireference Quantum Chemistry: Full Configuration Interaction on Graphical Processing Units
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-10-05
err92
errOAAI
errFales, B. Scott; Levine, Benjamin G.
err分享
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Defect-Induced Conical Intersections Promote Nonradiative Recombination缺陷引起的锥形交叉促进非辐射复合
errNANO LETTERS
IF9.1
err2015-08-24
err53
PREAI
errShu, Yinan; Fales, B. Scott; Levine, Benjamin G.
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err收藏
Infrared Multiple Photon Dissociation Action Spectroscopy and Theoretical Studies of Triethyl Phosphate Complexes: Effects of Protonation and Sodium Cationization on Structure
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2011-08-06
err17
PREAI
errFales, B. S.; Fujamade, N. O.; Oomens, J.; Rodgers, M. T.
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Infrared Multiple Photon Dissociation Action Spectroscopy and Theoretical Studies of Diethyl Phosphate Complexes: Effects of Protonation and Sodium Cationization on Structure
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2011-01-01
err23
errOAAI
errFales, B. S.; Fujamade, N. O.; Nei, Y. -W.; Oomens, J.; Rodgers, M. T.
err分享
err收藏

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