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P

Peter Kraus

Swiss Federal Laboratories for Materials Science and Technology
H指数:17
被引数:1,792

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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

量子化学通用驱动程序和数据库 (QCDB) 和量子化学引擎 (QCEngine): 计算化学程序之间的自动化和互操作性

JOURNAL OF CHEMICAL PHYSICS
IF3.1
2021-11-2229
OA
Smith, Daniel G. A.; Lolinco, Annabelle T.; Glick, Zachary L.; Lee, Jiyoung; Alenaizan, Asem; Barnes, Taylor A.; Borca, Carlos H.; Di Remigio, Roberto; Dotson, David L.; Ehlert, Sebastian; Heide, Alexander G.; Herbst, Michael F.; Hermann, Jan; Hicks, Colton B.; Horton, Joshua T.; Hurtado, Adrian G.; Kraus, Peter; Kruse, Holger; Lee, Sebastian J. R.; Misiewicz, Jonathon P.; Naden, Levi N.; Ramezanghorbani, Farhad; Scheurer, Maximilian; Schriber, Jeffrey B.; Simmonett, Andrew C.; Steinmetzer, Johannes; Wagner, Jeffrey R.; Ward, Logan; Welborn, Matthew; Altarawy, Doaa; Anwar, Jamshed; Chodera, John D.; Dreuw, Andreas; Kulik, Heather J.; Liu, Fang; Martinez, Todd J.; Matthews, Devin A.; Schaefer, Henry F., III; Sponer, Jiri; Turney, Justin M.; Wang, Lee-Ping; De Silva, Nuwan; King, Rollin A.; Stanton, John F.; Gordon, Mark S.; Windus, Theresa L.; Sherrill, C. David; Burns, Lori A.
PSI4 1.4: Open-source software for high-throughput quantum chemistry

PSI4 1.4: 高通量量子化学的开源软件

JOURNAL OF CHEMICAL PHYSICS
IF3.1
2020-05-13684
OAAI
Smith, 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

研究方向

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J
Jens‐Uwe Grabow
H 指数:36论文数:358被引数:5,536
A
Annette Trunschke
H 指数:48论文数:263被引数:7,294
M
Maximilian Scheurer
H 指数:15论文数:63被引数:4,319
D
Daniel G. A. Smith
H 指数:28论文数:67被引数:4,660
L
Lori A. Burns
H 指数:26论文数:81被引数:7,790
J
Justin M. Turney
H 指数:20论文数:103被引数:4,770
A
Andrew C. Simmonett
H 指数:34论文数:93被引数:1.2万
R
Rollin A. King
H 指数:25论文数:64被引数:8,153
H
Holger Kruse
H 指数:30论文数:147被引数:7,114
S
Sven Herbers
H 指数:13论文数:68被引数:498