Bayesian Reconstruction of the Density of States

Habeck, M

doi:10.1103/PhysRevLett.98.200601

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Bayesian Reconstruction of the Density of States

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Habeck, M
Department Empirical Inference, Max Planck Institute for Biological Cybernetics, Max Planck Society;
Max Planck Institute for Biological Cybernetics, Max Planck Society;
Max Planck Institute for Developmental Biology, Max Planck Society;

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https://journals.aps.org/prl/pdf/10.1103/PhysRevLett.98.200601
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引用

Habeck, M. (2007). Bayesian Reconstruction of the Density of States. Physical Review Letters, 98(20):, pp. 1-4. doi:10.1103/PhysRevLett.98.200601.

引用: https://hdl.handle.net/11858/00-001M-0000-0013-CDAF-4

要旨

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.