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

Author:

Gunaratne Ravinda S.1ORCID,Wilson Daniel B.1,Flegg Mark B.2,Erban Radek1ORCID

Affiliation:

1. Mathematical Institute, University of Oxford, Radcliffe Observatory Quarter, Woodstock Road, Oxford OX2 6GG, UK

2. School of Mathematical Sciences, Monash University, 9 Rainforest walk, Clayton campus, Victoria 3168, Australia

Abstract

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.

Funder

Engineering and Physical Sciences Research Council

Royal Society

Publisher

The Royal Society

Subject

Biomedical Engineering,Biomaterials,Biochemistry,Bioengineering,Biophysics,Biotechnology

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