Variational Characterization of Free Energy: Theory and Algorithms

Variational Characterization of Free Energy: Theory and Algorithms

The article surveys and extends variational formulations of the thermodynamic free energy and discusses their information-theoretic content from the perspective of mathematical statistics. We revisit the well-known Jarzynski equality for nonequilibrium free energy sampling within the framework of im...

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Bibliographic Details
Main Authors: Carsten Hartmann, Lorenz Richter, Christof Schütte, Wei Zhang
Format: Article
Language:English
Published: MDPI AG 2017-11-01
Series:Entropy
Subjects:
importance sampling
Donsker–Varadhan principle
thermodynamic free energy
nonequilibrium molecular dynamics
stochastic approximation
cross-entropy method
Online Access:https://www.mdpi.com/1099-4300/19/11/626

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