TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model.

Cruzeiro, Vinícius Wilian D; Wang, Yuanheng; Pieri, Elisa; Hohenstein, Edward G; Martínez, Todd J

Cruzeiro, Vinícius Wilian D; Wang, Yuanheng; Pieri, Elisa; Hohenstein, Edward G; Martínez, Todd J.

Afiliação

Cruzeiro VWD; Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA.
Wang Y; Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA.
Pieri E; Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA.
Hohenstein EG; Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA.
Martínez TJ; Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA.

J Chem Phys ; 158(4): 044801, 2023 Jan 28.

Article em En | MEDLINE | ID: mdl-36725506

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Guideline Idioma: En Revista: J Chem Phys Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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