Literature DB >> 17677679

Bayesian reconstruction of the density of states.

Michael Habeck1.   

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.

Year:  2007        PMID: 17677679     DOI: 10.1103/PhysRevLett.98.200601

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace.

Authors:  Cheng Zhang; Chun-Liang Lai; B Montgomery Pettitt
Journal:  Mol Simul       Date:  2016-07-05       Impact factor: 2.178

2.  Exact low-temperature series expansion for the partition function of the zero-field Ising model on the infinite square lattice.

Authors:  Grzegorz Siudem; Agata Fronczak; Piotr Fronczak
Journal:  Sci Rep       Date:  2016-10-10       Impact factor: 4.379

3.  Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems.

Authors:  Mahmoud Moradi; Emad Tajkhorshid
Journal:  J Chem Theory Comput       Date:  2014-06-03       Impact factor: 6.006

  3 in total

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