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Title: A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang Landau sampling

Conference ·
 [1];  [2];  [3];  [4]
  1. ORNL
  2. Los Alamos National Laboratory (LANL)
  3. Swiss Federal Research Institute, Switzerland
  4. University of Georgia, Athens, GA
+ Show Author Affiliations

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.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
DE-AC05-00OR22725
OSTI ID:
1133554
Resource Relation:
Journal Volume: 510; Conference: XXV IUPAP Conference on Computational Physics 2013, Moscow, Russian Fed., 20130820, 20130824
Country of Publication:
United States
Language:
English

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Cited By (1)

Correlation function behavior in the topological Kosterlitz–Thouless transition using the Replica-Exchange Wang–Landau technique journal December 2019

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