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

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Original languageEnglish
Article number144108 (2019)
Number of pages15
JournalJournal of Chemical Physics
Volume151
Issue number14
DOIs
DateAccepted/In press - 1 Aug 2019
DatePublished (current) - 8 Oct 2019

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.

    Research areas

  • cond-mat.stat-mech, cond-mat.soft

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    Rights statement: This is the author accepted manuscript (AAM). The final published version (version of record) is available online via AIP Publishing at https://aip.scitation.org/doi/full/10.1063/1.5120833. Please refer to any applicable terms of use of the publisher.

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  • Full-text PDF (final published version)

    Rights statement: This is the final published version of the article (version of record). It first appeared online via AIP Publishing at https://aip.scitation.org/doi/full/10.1063/1.5120833. Please refer to any applicable terms of use of the publisher.

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