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NWChem: Recent and Ongoing Developments.
Mejia-Rodriguez, Daniel; Aprà, Edoardo; Autschbach, Jochen; Bauman, Nicholas P; Bylaska, Eric J; Govind, Niranjan; Hammond, Jeff R; Kowalski, Karol; Kunitsa, Alexander; Panyala, Ajay; Peng, Bo; Rehr, John J; Song, Huajing; Tretiak, Sergei; Valiev, Marat; Vila, Fernando D.
Afiliação
  • Mejia-Rodriguez D; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Aprà E; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Autschbach J; Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000, United States.
  • Bauman NP; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Bylaska EJ; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Govind N; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Hammond JR; Accelerated Computing, NVIDIA Helsinki Oy, Porkkalankatu 1, 00180 Helsinki, Finland.
  • Kowalski K; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Kunitsa A; Zapata Computing, Inc., 100 Federal Street, Boston, Massachusetts 02110, United States.
  • Panyala A; Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Peng B; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
  • Rehr JJ; Department of Physics, University of Washington, Seattle, Washington 98195, United States.
  • Song H; Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Tretiak S; Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Valiev M; Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Vila FD; Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
J Chem Theory Comput ; 19(20): 7077-7096, 2023 Oct 24.
Article em En | MEDLINE | ID: mdl-37458314
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article