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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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: | Date Event 3 September 2014 Published 16 June 2014 Submitted |
| 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) |
| URI: | https://wrap.warwick.ac.uk/68209/ |
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