Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality.

Amabilino, Silvia; Bratholm, Lars A; Bennie, Simon J; Vaucher, Alain C; Reiher, Markus; Glowacki, David R

Amabilino, Silvia; Bratholm, Lars A; Bennie, Simon J; Vaucher, Alain C; Reiher, Markus; Glowacki, David R.

Afiliación

Amabilino S; School of Chemistry , University of Bristol , Bristol BS8 1TS , U.K.
Bratholm LA; School of Chemistry , University of Bristol , Bristol BS8 1TS , U.K.
Bennie SJ; School of Chemistry , University of Bristol , Bristol BS8 1TS , U.K.
Vaucher AC; Laboratory of Physical Chemistry , ETH Zurich , Zurich , Switzerland.
Reiher M; Laboratory of Physical Chemistry , ETH Zurich , Zurich , Switzerland.
Glowacki DR; School of Chemistry , University of Bristol , Bristol BS8 1TS , U.K.

J Phys Chem A ; 123(20): 4486-4499, 2019 May 23.

Article en En | MEDLINE | ID: mdl-30892040

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Qualitative_research Idioma: En Revista: J Phys Chem A Asunto de la revista: QUIMICA Año: 2019 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos

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