Variational Characterization of Free Energy: Theory and Algorithms

نویسندگان

  • Carsten Hartmann
  • Lorenz Richter
  • Christof Schütte
  • Wei Zhang
چکیده

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 importance sampling and Girsanov change-of-measure transformations. The implications of the different variational formulations for designing efficient stochastic optimization and nonequilibrium simulation algorithms for computing free energies are discussed and illustrated.

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عنوان ژورنال:
  • Entropy

دوره 19  شماره 

صفحات  -

تاریخ انتشار 2017