Anisotropic numerical potentials for coarse-grained modeling from high-speed multidimensional lookup table and interpolation algorithms.

Gangopadhyay, Ananya; Winberg, Simon; Naidoo, Kevin J

Gangopadhyay, Ananya; Winberg, Simon; Naidoo, Kevin J.

Afiliación

Gangopadhyay A; Scientific Computing Research Unit and Department of Chemistry, University of Cape Town, Cape Town, South Africa.
Winberg S; Scientific Computing Research Unit and Department of Electrical Engineering, University of Cape Town, Cape Town, South Africa.
Naidoo KJ; Scientific Computing Research Unit and Department of Chemistry, University of Cape Town, Cape Town, South Africa.

J Comput Chem ; 42(10): 666-675, 2021 Apr 15.

Article en En | MEDLINE | ID: mdl-33547644

Palabras clave

4D B-spline interpolation; anisotropic coarse grain model; graphics processing unit; lookup table; multicore; multidimensional numerical modeling; non-analytical functions; parallel computing

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article País de afiliación: Sudáfrica Pais de publicación: Estados Unidos

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google