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A collective translational and rotational Monte Carlo cluster move for general pairwise interaction

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Růžička, Štěpán and Allen, M. P. (2014) A collective translational and rotational Monte Carlo cluster move for general pairwise interaction. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Volume 90 . Article number 033302. ISSN 1539-3755.

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Official URL: http://dx.doi.org/10.1103/PhysRevE.90.033302

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Abstract

Virtual move Monte Carlo (VMMC) is a cluster algorithm which was originally developed for strongly attractive colloidal, molecular or atomistic systems in order to both approximate the collective dynamics and avoid sampling of unphysical kinetic traps. In this paper, we present the algorithm in the form, which selects the moving cluster through a wider class of virtual states, and which is applicable to general pairwise interactions, including hard-core repulsion. The newly proposed way of selecting the cluster increases the acceptance probability by up to several orders of magnitude especially for rotational moves. The results have their applications in simulations of systems interacting via anisotropic potentials both to enhance the sampling of the phase space and to approximate the dynamics.

Item Type: Journal Article
Subjects: Q Science > QC Physics
Divisions: Faculty of Science, Engineering and Medicine > Science > Physics
Library of Congress Subject Headings (LCSH): Colloids -- Analysis, Molecular association, Matter -- Properties -- Computer simulation
Journal or Publication Title: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
Publisher: American Physical Society
ISSN: 1539-3755
Official Date: 3 September 2014
Dates:
DateEvent
3 September 2014Published
16 June 2014Submitted
Volume: Volume 90
Number of Pages: 11
Article Number: Article number 033302
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Copyright Holders: American Physical Society
Date of first compliant deposit: 28 July 2016
Date of first compliant Open Access: 28 July 2016
Funder: Engineering and Physical Sciences Research Council (EPSRC), University of Warwick Postgraduate Research Scholarship
Grant number: EP/I001514/1 (EPSRC)

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