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NWChem: Past, present, and future.
Aprà, E; Bylaska, E J; de Jong, W A; Govind, N; Kowalski, K; Straatsma, T P; Valiev, M; van Dam, H J J; Alexeev, Y; Anchell, J; Anisimov, V; Aquino, F W; Atta-Fynn, R; Autschbach, J; Bauman, N P; Becca, J C; Bernholdt, D E; Bhaskaran-Nair, K; Bogatko, S; Borowski, P; Boschen, J; Brabec, J; Bruner, A; Cauët, E; Chen, Y; Chuev, G N; Cramer, C J; Daily, J; Deegan, M J O; Dunning, T H; Dupuis, M; Dyall, K G; Fann, G I; Fischer, S A; Fonari, A; Früchtl, H; Gagliardi, L; Garza, J; Gawande, N; Ghosh, S; Glaesemann, K; Götz, A W; Hammond, J; Helms, V; Hermes, E D; Hirao, K; Hirata, S; Jacquelin, M; Jensen, L; Johnson, B G.
Affiliation
  • Aprà E; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Bylaska EJ; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • de Jong WA; Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
  • Govind N; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Kowalski K; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Straatsma TP; National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Valiev M; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • van Dam HJJ; Brookhaven National Laboratory, Upton, New York 11973, USA.
  • Alexeev Y; Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, USA.
  • Anchell J; Intel Corporation, Santa Clara, California 95054, USA.
  • Anisimov V; Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, USA.
  • Aquino FW; QSimulate, Cambridge, Massachusetts 02139, USA.
  • Atta-Fynn R; Department of Physics, The University of Texas at Arlington, Arlington, Texas 76019, USA.
  • Autschbach J; Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260, USA.
  • Bauman NP; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Becca JC; Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
  • Bernholdt DE; Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Bhaskaran-Nair K; Washington University, St. Louis, Missouri 63130, USA.
  • Bogatko S; 4G Clinical, Wellesley, Massachusetts 02481, USA.
  • Borowski P; Faculty of Chemistry, Maria Curie-Sklodowska University in Lublin, 20-031 Lublin, Poland.
  • Boschen J; Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
  • Brabec J; J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 18223 Prague 8, Czech Republic.
  • Bruner A; Department of Chemistry and Physics, University of Tennessee at Martin, Martin, Tennessee 38238, USA.
  • Cauët E; Service de Chimie Quantique et Photophysique (CP 160/09), Université libre de Bruxelles, B-1050 Brussels, Belgium.
  • Chen Y; Facebook, Menlo Park, California 94025, USA.
  • Chuev GN; Institute of Theoretical and Experimental Biophysics, Russian Academy of Science, Pushchino, Moscow Region 142290, Russia.
  • Cramer CJ; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA.
  • Daily J; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Deegan MJO; SKAO, Jodrell Bank Observatory, Macclesfield SK11 9DL, United Kingdom.
  • Dunning TH; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA.
  • Dupuis M; Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260, USA.
  • Dyall KG; Dirac Solutions, Portland, Oregon 97229, USA.
  • Fann GI; Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Fischer SA; Chemistry Division, U. S. Naval Research Laboratory, Washington, DC 20375, USA.
  • Fonari A; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
  • Früchtl H; EaStCHEM and School of Chemistry, University of St. Andrews, St. Andrews KY16 9ST, United Kingdom.
  • Gagliardi L; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA.
  • Garza J; Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, Col. Vicentina, Iztapalapa, C.P. 09340 Ciudad de México, Mexico.
  • Gawande N; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Ghosh S; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 5545, USA.
  • Glaesemann K; Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  • Götz AW; San Diego Supercomputer Center, University of California, San Diego, La Jolla, California 92093, USA.
  • Hammond J; Intel Corporation, Santa Clara, California 95054, USA.
  • Helms V; Center for Bioinformatics, Saarland University, D-66041 Saarbrücken, Germany.
  • Hermes ED; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94551, USA.
  • Hirao K; Next-generation Molecular Theory Unit, Advanced Science Institute, RIKEN, Saitama 351-0198, Japan.
  • Hirata S; Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
  • Jacquelin M; Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
  • Jensen L; Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
  • Johnson BG; Acrobatiq, Pittsburgh, Pennsylvania 15206, USA.
J Chem Phys ; 152(18): 184102, 2020 May 14.
Article in En | MEDLINE | ID: mdl-32414274
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: United States Country of publication: United States
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: United States Country of publication: United States