Phys. Rev. Lett. 92, 035504 (2004) [4 pages]

Rejection-Free Geometric Cluster Algorithm for Complex Fluids

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Jiwen Liu and Erik Luijten *
Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Received 23 September 2003; published 23 January 2004

We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of the nature of the pair interactions. The rejection-free and nonlocal nature of the algorithm make it particularly suitable for the efficient simulation of complex fluids with components of widely varying size, such as colloidal mixtures. Compared to conventional simulation algorithms, typical efficiency improvements amount to several orders of magnitude.


©2004 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.92.035504
DOI: 10.1103/PhysRevLett.92.035504
PACS: 61.20.Ja, 05.10.Ln, 64.60.Ht, 82.70.Dd

* Corresponding author. Email address: luijten@uiuc.edu

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