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Numerical methods for density of states calculations

Authors
Publisher
Universitätsbibliothek Chemnitz
Publication Date
Keywords
  • Wang-Landau
  • Parq
  • Ddc:500
  • Ddc:530
  • Computerphysik
  • Lennard-Jones-Potenzial
  • Monte Carlo
  • Simulation
  • Zustandsdichte
Disciplines
  • Computer Science

Abstract

The parQ method, up to now only capable of calculating the density of states in the canonical ensemble, is extended to the grand canonical ensemble and compared to the Wang-Landau algorithm, a local-update flat-histogram method. Both algorithms have been implemented so that the performance and the respective benefits with increasing simulation time can be determined and compared.

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