A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling
Computational Physics
2015-06-18 v1 Soft Condensed Matter
Abstract
We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang-Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.
Keywords
Cite
@article{arxiv.1402.2328,
title = {A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling},
author = {Ying Wai Li and Thomas Vogel and Thomas Wüst and David P. Landau},
journal= {arXiv preprint arXiv:1402.2328},
year = {2015}
}
Comments
Conference on Computational Physics 2013 - CCP 2013