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Nonequilibrium free-energy estimation conditioned on measurement outcomes.

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The Jarzynski equality is one of the most influential results in the field of nonequilibrium statistical mechanics. This celebrated equality allow the calculation of equilibrium free-energy differences from work distributions… Click to show full abstract

The Jarzynski equality is one of the most influential results in the field of nonequilibrium statistical mechanics. This celebrated equality allow the calculation of equilibrium free-energy differences from work distributions of nonequilibrium processes. In practice, such calculations often suffer from poor convergence due to the need to sample rare events. Here we examine if the inclusion of measurement and feedback can improve the convergence of nonequilibrium free-energy calculations. A modified version of the Jarzynski equality in which realizations with a given outcome are kept, while others are discarded, is used. We find that discarding realizations with unwanted outcomes can result in improved convergence compared to calculations based on the Jarzynski equality. We argue that the observed improved convergence is closely related to Bennett's acceptance ratio method, which was developed without any reference to measurements or feedback.

Keywords: jarzynski equality; energy; nonequilibrium free; free energy; convergence

Journal Title: Physical Review E
Year Published: 2017

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