Vendi sampling for molecular simulations: Diversity as a force for faster convergence and better exploration.

Pasarkar, Amey P; Bencomo, Gianluca M; Olsson, Simon; Dieng, Adji Bousso

Pasarkar, Amey P; Bencomo, Gianluca M; Olsson, Simon; Dieng, Adji Bousso.

Afiliación

Pasarkar AP; Vertaix, Department of Computer Science, Princeton University, 35 Olden Street, Princeton, New Jersey 08544, USA.
Bencomo GM; Department of Computer Science, Princeton University, 35 Olden Street, Princeton, New Jersey 08544, USA.
Olsson S; Department of Computer Science and Engineering, Chalmers University of Technology, Rännvägen 6, 41258 Gothenburg, Sweden.
Dieng AB; Vertaix, Department of Computer Science, Princeton University, 35 Olden Street, Princeton, New Jersey 08544, USA.

J Chem Phys ; 159(14)2023 Oct 14.

Article en En | MEDLINE | ID: mdl-37823459

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos