Work

Correction of coarse-graining errors by a two-level method: Application to the Asakura-Oosawa model

Year: 2019

Type: erratum

Abstract: We present a method that exploits self-consistent simulation of coarse-grained and fine-grained models in order to analyze properties of physical systems. The method uses the coarse-grained model to obtain a first estimate of the quantity of interest, before computing a correction by analyzing properties of the fine system. We illustrate the method by applying it to the Asakura-Oosawa model of colloid-polymer mixtures. We show that the liquid-vapor critical point in that system is affected by three-body interactions which are neglected in the corresponding coarse-grained model. We analyze the size of this effect and the nature of the three-body interactions. We also analyze the accuracy of the method as a function of the associated computational effort.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.5120833

Authors: Hideki Kobayashi, Paul B. Rohrbach, Robert Scheichl, Nigel B. Wilding, Robert L. Jack

Institutions: University of Cambridge, Heidelberg University, University of Bristol

Language: English

Topic: Phase Equilibria and Thermodynamics

Subfield: Biomedical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: bronze

Funder: Leverhulme Trust

Award: G8656913500

OpenAlex ID: W2962246102

Cites: 67

Cited by: 10

Related to: 10