Message-passing neural networks for high-throughput polymer screening.

St John, Peter C; Phillips, Caleb; Kemper, Travis W; Wilson, A Nolan; Guan, Yanfei; Crowley, Michael F; Nimlos, Mark R; Larsen, Ross E

St John, Peter C; Phillips, Caleb; Kemper, Travis W; Wilson, A Nolan; Guan, Yanfei; Crowley, Michael F; Nimlos, Mark R; Larsen, Ross E.

Afiliación

St John PC; Biosciences Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.
Phillips C; Computational Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.
Kemper TW; Computational Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.
Wilson AN; National Biaoenergy Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.
Guan Y; Department of Chemistry, Colorado State University, Fort Collins, Colorado 80523-1872, USA.
Crowley MF; Biosciences Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.
Nimlos MR; National Biaoenergy Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.
Larsen RE; Computational Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401-3393, USA.

J Chem Phys ; 150(23): 234111, 2019 Jun 21.

Article en En | MEDLINE | ID: mdl-31228909

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: J Chem Phys Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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