Publication Type
Conference Paper
Journal Name
Journal of Physics: Conference Series
Publication Date
Page Number
012012
Volume
510
Conference Name
XXV IUPAP Conference on Computational Physics 2013
Conference Location
Moscow, Russia
Conference Date
-
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.