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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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
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author Cortes-Huerto, Robinson
Praprotnik, Matej
Kremer, Kurt
Delle Site, Luigi
author_facet Cortes-Huerto, Robinson
Praprotnik, Matej
Kremer, Kurt
Delle Site, Luigi
author_sort Cortes-Huerto, Robinson
collection PubMed
description 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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spelling pubmed-85472192021-10-29 From adaptive resolution to molecular dynamics of open systems Cortes-Huerto, Robinson Praprotnik, Matej Kremer, Kurt Delle Site, Luigi Eur Phys J B Topical Review - Computational Methods 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] Springer Berlin Heidelberg 2021-09-23 2021 /pmc/articles/PMC8547219/ /pubmed/34720711 http://dx.doi.org/10.1140/epjb/s10051-021-00193-w Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Topical Review - Computational Methods
Cortes-Huerto, Robinson
Praprotnik, Matej
Kremer, Kurt
Delle Site, Luigi
From adaptive resolution to molecular dynamics of open systems
title From adaptive resolution to molecular dynamics of open systems
title_full From adaptive resolution to molecular dynamics of open systems
title_fullStr From adaptive resolution to molecular dynamics of open systems
title_full_unstemmed From adaptive resolution to molecular dynamics of open systems
title_short From adaptive resolution to molecular dynamics of open systems
title_sort from adaptive resolution to molecular dynamics of open systems
topic Topical Review - Computational Methods
url 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
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