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The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.
Zahariev, Federico; Xu, Peng; Westheimer, Bryce M; Webb, Simon; Galvez Vallejo, Jorge; Tiwari, Ananta; Sundriyal, Vaibhav; Sosonkina, Masha; Shen, Jun; Schoendorff, George; Schlinsog, Megan; Sattasathuchana, Tosaporn; Ruedenberg, Klaus; Roskop, Luke B; Rendell, Alistair P; Poole, David; Piecuch, Piotr; Pham, Buu Q; Mironov, Vladimir; Mato, Joani; Leonard, Sam; Leang, Sarom S; Ivanic, Joe; Hayes, Jackson; Harville, Taylor; Gururangan, Karthik; Guidez, Emilie; Gerasimov, Igor S; Friedl, Christian; Ferreras, Katherine N; Elliott, George; Datta, Dipayan; Cruz, Daniel Del Angel; Carrington, Laura; Bertoni, Colleen; Barca, Giuseppe M J; Alkan, Melisa; Gordon, Mark S.
Affiliation
  • Zahariev F; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Xu P; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Westheimer BM; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Webb S; VeraChem LLC, 12850 Middlebrook Road, Suite 205, Germantown, Maryland 20874-5244, United States.
  • Galvez Vallejo J; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Tiwari A; Research School of Computer Science, Australian National University, Canberra, ACT 2601, Australia.
  • Sundriyal V; EP Analytics, Inc., 9909 Mira Mesa Boulevard, Suite 230, San Diego, California 92131, United States.
  • Sosonkina M; Department of Computational Modeling and Simulation Engineering, Old Dominion University, Norfolk, Virginia 23529, United States.
  • Shen J; Department of Computational Modeling and Simulation Engineering, Old Dominion University, Norfolk, Virginia 23529, United States.
  • Schoendorff G; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States.
  • Schlinsog M; Propellants Branch, Rocket Propulsion Division, Aerospace Systems Directorate, Air Force Research Laboratory, AFRL/RQRP, Edwards Air Force Base, California 93524, United States.
  • Sattasathuchana T; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Ruedenberg K; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Roskop LB; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Rendell AP; Hewlett-Packard Enterprise, 2131 Lindau Lane #1000, Bloomington, Minnesota 55425, United States.
  • Poole D; Flinders University, Adelaide, SA 5001, Australia.
  • Piecuch P; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Pham BQ; School of Chemistry & Biochemistry, Georgia Institute of Technology, Athens, Georgia 30332, United States.
  • Mironov V; Department of Chemistry and Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, United States.
  • Mato J; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Leonard S; Department of Chemistry, Kyungpook National University, Daegu 41566, South Korea.
  • Leang SS; Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MS K1-83, Richland, Washington 99352, United States.
  • Ivanic J; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Hayes J; EP Analytics, Inc., 9909 Mira Mesa Boulevard, Suite 230, San Diego, California 92131, United States.
  • Harville T; Advanced Biomedical Computational Science, Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702, United States.
  • Gururangan K; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Guidez E; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Gerasimov IS; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States.
  • Friedl C; Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217, United States.
  • Ferreras KN; Department of Chemistry, Kyungpook National University, Daegu 41566, South Korea.
  • Elliott G; Institut für Theoretische Physik, Johannes Kepler Universität Linz, Altenberger Str. 69, 4040 Linz, Austria.
  • Datta D; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Cruz DDA; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Carrington L; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Bertoni C; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50014, United States.
  • Barca GMJ; EP Analytics, Inc., 9909 Mira Mesa Boulevard, Suite 230, San Diego, California 92131, United States.
  • Alkan M; Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439, United States.
  • Gordon MS; Research School of Computer Science, Australian National University, Canberra, ACT 2601, Australia.
J Chem Theory Comput ; 19(20): 7031-7055, 2023 Oct 24.
Article in En | MEDLINE | ID: mdl-37793073
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Guideline Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: United States Country of publication: United States
Fulltext
Add to My VHL
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PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Guideline Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: United States Country of publication: United States