Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1783416098877603840 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6501348 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | The Royal Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT gunaratneravindas multiresolutiondimermodelsinheatbathswithshortrangeandlongrangeinteractions AT wilsondanielb multiresolutiondimermodelsinheatbathswithshortrangeandlongrangeinteractions AT fleggmarkb multiresolutiondimermodelsinheatbathswithshortrangeandlongrangeinteractions AT erbanradek multiresolutiondimermodelsinheatbathswithshortrangeandlongrangeinteractions |