Cell-veto Monte Carlo algorithm for long-range systems

Abstract

We present a rigorous efficient event-chain Monte Carlo algorithm for long-range interacting particle systems. Using a cell-veto scheme within the factorized Metropolis algorithm, we compute each single-particle move with a fixed number of operations. For slowly decaying potentials such as Coulomb interactions, screening line charges allow us to take into account periodic boundary conditions. We discuss the performance of the cell-veto Monte Carlo algorithm for general inverse-power-law potentials, and illustrate how it provides a new outlook on one of the prominent bottlenecks in large-scale atomistic Monte Carlo simulations.

4 pages; includes demo implementation in Python

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• 2D Melting: From Liquid-Hexatic Coexistence to Continuous Transitions
• Application of Ewald summations to long-range dispersion forces
• Event-chain Monte Carlo for classical continuous spin models
• Event-chain algorithm for the Heisenberg model: Evidence for $z\simeq 1$ dynamic scaling

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