Hartmann, C. and Richter, L. and Schütte, Ch. and Zhang, W. (2017) Variational characterization of free energy: theory and algorithms. Entropy (Special Issue), 19 (11). pp. 127. ISSN 10994300

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Official URL: http://dx.doi.org/10.3390/e19110626
Abstract
The article surveys and extends variational formulations of the thermodynamic free energy and discusses their informationtheoretic content from the perspective of mathematical statistics. We revisit the wellknown Jarzynski equality for nonequilibrium free energy sampling within the framework of importance sampling and Girsanov changeofmeasure 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.
Item Type:  Article 

Subjects:  Mathematical and Computer Sciences > Mathematics > Applied Mathematics 
Divisions:  Department of Mathematics and Computer Science > Institute of Mathematics 
ID Code:  2156 
Deposited By:  Silvia Hoemke 
Deposited On:  12 Dec 2017 16:46 
Last Modified:  12 Dec 2017 16:46 
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