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E

Edward G. Hohenstein

stanford university

50H指数
116论文数
1.5W被引数
收录论文 62
发表时间
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Accelerating CCSD(T) on Graphical Processing Units (GPUs)在图形处理单元（GPUs）上加速CCSD(T)
errThe Journal of Physical Chemistry A
IF2.8
err2026-02-26
err0
PREAI
errO. Jonathan Fajen; Joseph E. Kelly; Edward G. Hohenstein; Todd J. Martinez
err分享
err收藏
Ultrafast internal conversion and photochromism in gas-phase salicylideneaniline
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-08
err9
PREAI
errSilfies, Myles C.; Mehmood, Arshad; Kowzan, Grzegorz; Hohenstein, Edward G.; Levine, Benjamin G.; Allison, Thomas K.
err分享
err收藏
Efficient quantum analytic nuclear gradients with double factorization
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-21
err8
errOAAI
errHohenstein, Edward G.; Oumarou, Oumarou; Al-Saadon, Rachael; Anselmetti, Gian-Luca R.; Scheurer, Maximilian; Gogolin, Christian; Parrish, Robert M.
err分享
err收藏
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-25
err11
errOAAI
errCruzeiro, Vinicius Wilian D.; Wang, Yuanheng; Pieri, Elisa; Hohenstein, Edward G.; Martinez, Todd J.
err分享
err收藏
INTERACHEM: Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-01
err6
errOAAI
errWang, Yuanheng; Seritan, Stefan; Lahana, Dean; Ford, Jason E.; Valentini, Alessio; Hohenstein, Edward G.; Martinez, Todd J.
err分享
err收藏
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
GPU acceleration of rank-reduced coupled-cluster singles and doubles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-11-12
err7
errOAAI
errHohenstein, Edward G.; Martinez, Todd J.
err分享
err收藏
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-08
err10
errOAAI
errHohenstein, Edward G.; Yu, Jimmy K.; Bannwarth, Christoph; List, Nanna Holmgaard; Paul, Alexander C.; Folkestad, Sarai D.; Koch, Henrik; Martinez, Todd J.
err分享
err收藏
Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2020-11-24
err62
errOAAI
errYu, Jimmy K.; Bannwarth, Christoph; Liang, Ruibin; Hohenstein, Edward G.; Martinez, Todd J.
err分享
err收藏
Ab Initio Nonadiabatic Molecular Dynamics with Hole-Hole Tamm-Dancoff Approximated Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-08-05
err38
PREAI
errYu, Jimmy K.; Bannwarth, Christoph; Hohenstein, Edward G.; 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
Hole-hole Tamm-Dancoff-approximated density functional theory: A highly efficient electronic structure method incorporating dynamic and static correlation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-09
err48
errOAAI
errBannwarth, Christoph; Yu, Jimmy K.; Hohenstein, Edward G.; Martinez, Todd J.
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.
err分享
err收藏
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.
err分享
err收藏
PSI4 1.4: Open-source software for high-throughput quantum chemistryPSI4 1.4: 高通量量子化学的开源软件
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-13
err684
errOAAI
errSmith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M.; Lehtola, Susi; Misiewicz, Jonathon P.; Scheurer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer, Henry F., III; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene, III; Bozkaya, Ugur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
err分享
err收藏
Nature-Derived Sodium-Ion Battery: Mechanistic Insights into Na-Ion Coordination within Sustainable Molecular Cathode Materials自然衍生的钠离子电池: 可持续分子阴极材料中钠离子协调的机理见解
errACS APPLIED ENERGY MATERIALS
IF5.5
err2019-11-25
err29
PREAI
errMiroshnikov, Mikhail; Kato, Keiko; Babu, Ganguli; Kumar, Naresh; Mahankali, Kiran; Hohenstein, Edward; Wang, Hsin; Satapathy, Sitakanta; Divya, Kizhmuri P.; Asare, Harrison; Arava, Leela Mohana Reddy; Ajayan, Pulickel M.; John, George
err分享
err收藏
Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-30
err28
errOAAI
errHohenstein, Edward G.; Zhao, Yao; Parrish, Robert M.; Martinez, Todd J.
err分享
err收藏
Made From Henna! A Fast-Charging, High-Capacity, and Recyclable Tetrakislawsone Cathode Material for Lithium Ion Batteries
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2019-07-15
err48
PREAI
errMiroshnikov, Mikhail; Kato, Keiko; Babu, Ganguli; Thangavel, Naresh Kumar; Mahankali, Kiran; Hohenstein, Edward; Wang, Hsin; Satapathy, Sitakanta; Divya, Kizhmuri P.; Asare, Harrison; Ajayan, Pulickel M.; Arava, Leela Mohana Reddy; John, George
err分享
err收藏
Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-25
err54
errOAAI
errParrish, Robert M.; Zhao, Yao; Hohenstein, Edward G.; Martinez, Todd J.
err分享
err收藏
Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-12-22
err62
errOAAI
errHollas, Daniel; Sistik, Lukas; Hohenstein, Edward G.; Martinez, Todd J.; Slavicek, Petr
err分享
err收藏

研究方向

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合作学者
合作期刊
P
Pulickel M. Ajayan
H 指数: 201 · 论文数: 1.5K
H
Henry F. Schaefer
H 指数: 128 · 论文数: 2.2K
T
Todd J. Martı́nez
H 指数: 93 · 论文数: 666
D
Daniel Herschlag
H 指数: 92 · 论文数: 425
B
Bobby G. Sumpter
H 指数: 86 · 论文数: 922
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