Hoellmer Maggs Krauth 2021

From Werner KRAUTH

Revision as of 18:09, 14 March 2022; view current revision
←Older revision | Newer revision→
Jump to: navigation, search

P. Hoellmer, A. C. Maggs, W. Krauth Hard-disk dipoles and non-reversible Markov chains Journal of Chemical Physics 156, 084108 (2022)

Abstract We benchmark event-chain Monte Carlo (ECMC) algorithms for tethered hard-disk dipoles in two dimensions in view of application of ECMC to water models in molecular simulation. We characterize the rotation dynamics of dipoles through the integrated autocorrelation times of the polarization. The non-reversible straight, reflective, forward, and Newtonian ECMC algorithms are all event-driven and only move a single hard disk at any time. They differ only in their update rules at event times. We show that they realize considerable speedups with respect to the local reversible Metropolis algorithm with single-disk moves. We also find significant speed differences among the ECMC variants. Newtonian ECMC appears particularly well-suite

Electronic version (from arXiv)

Journal version (subscription required)

Personal tools