Rejection-free Geometric Cluster Algorithm for Complex Fluids

TL;DR

This paper introduces a new Monte Carlo algorithm that efficiently simulates complex fluids by using geometric transformations to create rejection-free, non-local cluster moves, significantly improving simulation speed for systems with diverse particle sizes.

Contribution

The paper presents a novel rejection-free geometric cluster algorithm that enhances simulation efficiency for complex fluids with varied particle sizes, applicable across different interaction types.

Findings

Achieves several orders of magnitude efficiency improvement over traditional methods

Applicable to a wide range of fluid systems with complex interactions

Ensures all cluster moves are accepted, increasing simulation speed

Abstract

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 non-local 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.