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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.
Kowalski, Karol; Bair, Raymond; Bauman, Nicholas P; Boschen, Jeffery S; Bylaska, Eric J; Daily, Jeff; de Jong, Wibe A; Dunning, Thom; Govind, Niranjan; Harrison, Robert J; Keçeli, Murat; Keipert, Kristopher; Krishnamoorthy, Sriram; Kumar, Suraj; Mutlu, Erdal; Palmer, Bruce; Panyala, Ajay; Peng, Bo; Richard, Ryan M; Straatsma, T P; Sushko, Peter; Valeev, Edward F; Valiev, Marat; van Dam, Hubertus J J; Waldrop, Jonathan M; Williams-Young, David B; Yang, Chao; Zalewski, Marcin; Windus, Theresa L.
Afiliación
  • Kowalski K; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Bair R; Argonne National Laboratory, Lemont, Illinois 60439, United States.
  • Bauman NP; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Boschen JS; Ames Laboratory, Ames, Iowa 50011, United States.
  • Bylaska EJ; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Daily J; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • de Jong WA; Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
  • Dunning T; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Govind N; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Harrison RJ; Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, United States.
  • Keçeli M; Argonne National Laboratory, Lemont, Illinois 60439, United States.
  • Keipert K; Argonne National Laboratory, Lemont, Illinois 60439, United States.
  • Krishnamoorthy S; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Kumar S; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Mutlu E; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Palmer B; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Panyala A; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Peng B; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Richard RM; Ames Laboratory, Ames, Iowa 50011, United States.
  • Straatsma TP; National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6373, United States.
  • Sushko P; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Valeev EF; Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.
  • Valiev M; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • van Dam HJJ; Brookhaven National Laboratory, Upton, New York 11973, United States.
  • Waldrop JM; Ames Laboratory, Ames, Iowa 50011, United States.
  • Williams-Young DB; Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
  • Yang C; Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
  • Zalewski M; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Windus TL; Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa 50011, United States.
Chem Rev ; 121(8): 4962-4998, 2021 04 28.
Article en En | MEDLINE | ID: mdl-33788546

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Rev Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Rev Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos