Year: 2005
Type: article
Abstract: 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.
Source: Physical Review E
Authors: Jiwen Liu, Erik Luijten
Institution: University of Illinois Urbana-Champaign
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2004838573