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

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.

SUBMITTER: Gunaratne RS

PROVIDER: S-EPMC6501348 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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

Gunaratne Ravinda S RS Wilson Daniel B DB Flegg Mark B MB Erban Radek R

Interface focus 20190419 3

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 res ...[more]

PMID: 31065341

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