On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations

Details On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations

2007-03-07

arxiv.org/abs/cond-mat/0703175v1

J. Stat. Mech. (2007) P04001

Physics

Condensed Matter

Statistical Mechanics

Scientific paper

10.1088/1742-5468/2007/04/P04001

According to the Jarzynski theorem, equilibrium free energy differences can be calculated from the statistics of work carried out during non-equilibrium transformations. Although exact, this approach can be plagued by large statistical errors, particularly for systems driven strongly away from equilibrium. Recently, several approaches have been suggested to reduce these errors. In this paper we study the efficiency of these methods using two models for which analytical solutions exist.

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