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Title: A generic, hierarchical framework for massively parallel Wang Landau sampling

We introduce a parallel Wang Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of com- plex systems, we apply it to the self-assembly process in amphiphilic solutions and to lattice protein adsorption. Without loss of accuracy, the method gives significant speed-up on small architectures like multi-core processors, and should be beneficial for petaflop machines.
Authors:
 [1] ;  [2] ;  [3] ;  [1]
  1. University of Georgia, Athens, GA
  2. ORNL
  3. Swiss Federal Research Institute, Switzerland
Publication Date:
OSTI Identifier:
1092241
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 110; Journal Issue: 21
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English