Multiscale Monte Carlo for simple fluids

TL;DR

This paper presents a multiscale Monte Carlo algorithm for simulating dense simple fluids, improving efficiency and eliminating hydrodynamic slowing down compared to traditional methods.

Contribution

It introduces a novel multiscale Monte Carlo approach with a power law distribution for updates, generalizing the Metropolis rule for collective particle motion.

Findings

Enhanced simulation efficiency for Lennard-Jones fluids

Elimination of hydrodynamic slowing down in dense fluids

Generalization of Metropolis update for collective moves

Abstract

We introduce a multiscale Monte Carlo algorithm to simulate dense simple fluids. The probability of an update follows a power law distribution in its length scale. The collective motion of clusters of particles requires generalization of the Metropolis update rule to impose detailed balance. We apply the method to the simulation of a Lennard-Jones fluid and show improvements in efficiency over conventional Monte Carlo and molecular dynamics, eliminating hydrodynamic slowing down.