Smith, Daniel G. A. http://orcid.org/0000-0001-8626-0900
Burns, Lori A. http://orcid.org/0000-0003-2852-5864
Simmonett, Andrew C. http://orcid.org/0000-0002-5921-9272
Parrish, Robert M. http://orcid.org/0000-0002-2406-4741
Schieber, Matthew C.
Galvelis, Raimondas http://orcid.org/0000-0001-8431-1612
Kraus, Peter http://orcid.org/0000-0002-4359-5003
Kruse, Holger http://orcid.org/0000-0002-0560-1513
Di Remigio, Roberto http://orcid.org/0000-0002-5452-9239
Alenaizan, Asem http://orcid.org/0000-0002-0871-664X
James, Andrew M. http://orcid.org/0000-0001-5821-6064
Lehtola, Susi http://orcid.org/0000-0001-6296-8103
Misiewicz, Jonathon P. http://orcid.org/0000-0002-6425-9551
Scheurer, Maximilian http://orcid.org/0000-0003-0592-3464
Shaw, Robert A. http://orcid.org/0000-0002-9977-0835
Schriber, Jeffrey B. http://orcid.org/0000-0001-6906-8191
Xie, Yi http://orcid.org/0000-0003-4251-6219
Glick, Zachary L. http://orcid.org/0000-0003-0900-2849
Sirianni, Dominic A. http://orcid.org/0000-0002-6464-0213
O’Brien, Joseph Senan http://orcid.org/0000-0002-8753-1861
Waldrop, Jonathan M. http://orcid.org/0000-0003-0442-193X
Kumar, Ashutosh http://orcid.org/0000-0001-7589-6030
Hohenstein, Edward G. http://orcid.org/0000-0002-2119-2959
Pritchard, Benjamin P. http://orcid.org/0000-0003-2136-0606
Brooks, Bernard R.
Schaefer, Henry F. III http://orcid.org/0000-0003-0252-2083
Sokolov, Alexander Yu. http://orcid.org/0000-0003-2637-4134
Patkowski, Konrad http://orcid.org/0000-0002-4468-207X
DePrince, A. Eugene III http://orcid.org/0000-0003-1061-2521
Bozkaya, Uğur http://orcid.org/0000-0002-5203-2210
King, Rollin A. http://orcid.org/0000-0002-1173-4187
Evangelista, Francesco A. http://orcid.org/0000-0002-7917-6652
Turney, Justin M. http://orcid.org/0000-0003-3659-0711
Crawford, T. Daniel http://orcid.org/0000-0002-7961-7016
Sherrill, C. David http://orcid.org/0000-0002-5570-7666
Funding for this research was provided by:
Scientific and Technological Research Council of Turkey (TUBITAK-114Z786, TUBITAK-116Z506, TUBITAK-118Z916)
Advanced Research Computing Virginia Tech
Research Council of Norway Centre of Excellence (262695)
Research Council of Norway Mobility Grant (261873)
Forrest Research Foundation
Pawsey Supercomputing Centre
Open Force Field Consortium
National Science Foundation (CHE-1351978, ACI-1449723, CHE-1566192, ACI-1609842, CHE-1661604, CHE-1554354, ACI-1547580, CHE-1900420)
U.S. Department of Energy (DE-SC0018412, DE-SC0016004, 17-SC-20-SC, AL-18-380-057)
European Cooperation in Science and Technology (CM1405)
Academy of Finland (311149)
National Heart, Lung, and Blood Institute (Intramural Research Program)
European Regional Development Fund (CZ.02.1.01/0.0/0.0/15_003/0000477)