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.
Max-Planck-Institute for Biological Cybernetics, Spemannstrasse 38, 72076 Tübingen, Germany. michael.habeck@tuebingen.mpg.de
Michael
M
Habeck