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

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

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Abstract

We present a method that exploits self-consistent simulation of coarse-grained and fine-grained models, in order to analyse 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 analysing properties of the fine system. We illustrate the method by applying it to the Asakura-Oosawa (AO) model of colloid-polymer mixtures. We show that the liquid-vapour critical point in that system is affected by three-body interactions which are neglected in the corresponding coarse-grained model. We analyse the size of this effect and the nature of the three-body interactions. We also analyse the accuracy of the method, as a function of the associated computational effort.
Original languageEnglish
Article number144108 (2019)
Number of pages15
JournalJournal of Chemical Physics
Volume151
Issue number14
DOIs
Publication statusPublished - 8 Oct 2019

Keywords

  • cond-mat.stat-mech
  • cond-mat.soft

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