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Bayesian Reconstruction of the Density of States

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons83949

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

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Citation

Habeck, M. (2007). Bayesian Reconstruction of the Density of States. Physical Review Letters, 98(20, 200601), 1-4. doi:10.1103/PhysRevLett.98.200601.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0013-CDAF-4
Abstract
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.