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Bayesian Reconstruction of the Density of States




A Bayesian framework is developed to reconstruct the density of states from multiple canonical simulations. The framework encompasses the histogram reweighting method of Ferrenberg and Swendsen. The new approach applies to nonparametric as well as parametric models and does not require simulation data to be discretized. It offers a means to assess the precision of the reconstructed density of states and of derived thermodynamic quantities.

Author(s): Habeck, M.
Journal: Physical Review Letters
Volume: 98
Number (issue): 20, 200601
Pages: 1-4
Year: 2007
Month: May
Day: 0

Department(s): Empirische Inferenz
Bibtex Type: Article (article)

Digital: 0
DOI: 10.1103/PhysRevLett.98.200601
Language: en
Organization: Max-Planck-Gesellschaft
School: Biologische Kybernetik

Links: Web


  title = {Bayesian Reconstruction of the Density of States},
  author = {Habeck, M.},
  journal = {Physical Review Letters},
  volume = {98},
  number = {20, 200601},
  pages = {1-4},
  organization = {Max-Planck-Gesellschaft},
  school = {Biologische Kybernetik},
  month = may,
  year = {2007},
  month_numeric = {5}