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Numerical methods for density of states calculations

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


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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