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Multi-resolution dimer models in heat baths with short-range and long-range interactions

This work investigates multi-resolution methodologies for simulating dimer models. The solvent particles which make up the heat bath interact with the monomers of the dimer either through direct collisions (short-range) or through harmonic springs (long-range). Two types of multi-resolution methodol...

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Detalles Bibliográficos
Autores principales: Gunaratne, Ravinda S., Wilson, Daniel B., Flegg, Mark B., Erban, Radek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6501348/
https://www.ncbi.nlm.nih.gov/pubmed/31065341
http://dx.doi.org/10.1098/rsfs.2018.0070
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author Gunaratne, Ravinda S.
Wilson, Daniel B.
Flegg, Mark B.
Erban, Radek
author_facet Gunaratne, Ravinda S.
Wilson, Daniel B.
Flegg, Mark B.
Erban, Radek
author_sort Gunaratne, Ravinda S.
collection PubMed
description This work investigates multi-resolution methodologies for simulating dimer models. The solvent particles which make up the heat bath interact with the monomers of the dimer either through direct collisions (short-range) or through harmonic springs (long-range). Two types of multi-resolution methodologies are considered in detail: (a) describing parts of the solvent far away from the dimer by a coarser approach; (b) describing each monomer of the dimer by using a model with different level of resolution. These methodologies are then used to investigate the effect of a shared heat bath versus two uncoupled heat baths, one for each monomer. Furthermore, the validity of the multi-resolution methods is discussed by comparison to dynamics of macroscopic Langevin equations.
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spelling pubmed-65013482019-05-07 Multi-resolution dimer models in heat baths with short-range and long-range interactions Gunaratne, Ravinda S. Wilson, Daniel B. Flegg, Mark B. Erban, Radek Interface Focus Articles This work investigates multi-resolution methodologies for simulating dimer models. The solvent particles which make up the heat bath interact with the monomers of the dimer either through direct collisions (short-range) or through harmonic springs (long-range). Two types of multi-resolution methodologies are considered in detail: (a) describing parts of the solvent far away from the dimer by a coarser approach; (b) describing each monomer of the dimer by using a model with different level of resolution. These methodologies are then used to investigate the effect of a shared heat bath versus two uncoupled heat baths, one for each monomer. Furthermore, the validity of the multi-resolution methods is discussed by comparison to dynamics of macroscopic Langevin equations. The Royal Society 2019-06-06 2019-04-19 /pmc/articles/PMC6501348/ /pubmed/31065341 http://dx.doi.org/10.1098/rsfs.2018.0070 Text en © 2019 The Authors. http://creativecommons.org/licenses/by/4.0/ Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.
spellingShingle Articles
Gunaratne, Ravinda S.
Wilson, Daniel B.
Flegg, Mark B.
Erban, Radek
Multi-resolution dimer models in heat baths with short-range and long-range interactions
title Multi-resolution dimer models in heat baths with short-range and long-range interactions
title_full Multi-resolution dimer models in heat baths with short-range and long-range interactions
title_fullStr Multi-resolution dimer models in heat baths with short-range and long-range interactions
title_full_unstemmed Multi-resolution dimer models in heat baths with short-range and long-range interactions
title_short Multi-resolution dimer models in heat baths with short-range and long-range interactions
title_sort multi-resolution dimer models in heat baths with short-range and long-range interactions
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6501348/
https://www.ncbi.nlm.nih.gov/pubmed/31065341
http://dx.doi.org/10.1098/rsfs.2018.0070
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