2005/03/17 by Jiwen Liu, Erik Luijten
Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Theoretical and Computational Physics #cond-mat.soft #cond-mat.stat-mech
paper · pdf · doi:10.1103/physreve.71.066701
published as Phys. Rev. E 71, 066701 (2005) · Accepted for publication in Phys. Rev. E. Follow-up to cond-mat/0412744
arxiv created 2005/03/17 · openalex publication_date 2005/06/02 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a detailed description of the generalized geometric cluster algorithm for the efficient simulation of continuum fluids. The connection with well-known cluster algorithms for lattice spin models is discussed, and an explicit full cluster decomposition is derived for a particle configuration in a fluid. We investigate a number of basic properties of the geometric cluster algorithm, including the dependence of the cluster-size distribution on density and temperature. Practical aspects of its implementation and possible extensions are discussed. The capabilities and efficiency of our approach are illustrated by means of two example studies.