From adaptive resolution to molecular dynamics of open systems

ABSTRACT: We provide an overview of the Adaptive Resolution Simulation method (AdResS) based on discussing its basic principles and presenting its current numerical and theoretical developments. Examples of applications to systems of interest to soft matter, chemical physics, and condensed matter il...

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Detalles Bibliográficos
Autores principales: Cortes-Huerto, Robinson, Praprotnik, Matej, Kremer, Kurt, Delle Site, Luigi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Topical Review - Computational Methods
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8547219/
https://www.ncbi.nlm.nih.gov/pubmed/34720711
http://dx.doi.org/10.1140/epjb/s10051-021-00193-w
Descripción
Sumario:ABSTRACT: We provide an overview of the Adaptive Resolution Simulation method (AdResS) based on discussing its basic principles and presenting its current numerical and theoretical developments. Examples of applications to systems of interest to soft matter, chemical physics, and condensed matter illustrate the method’s advantages and limitations in its practical use and thus settle the challenge for further future numerical and theoretical developments. GRAPHIC ABSTRACT: [Image: see text]

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