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Equilibrium free energy differences from nonequilibrium measurements: a master equation approach

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arxiv cond-mat/9707325 v1 pith:KZCAA3KS submitted 1997-07-30 cond-mat.stat-mech physics.chem-ph

Equilibrium free energy differences from nonequilibrium measurements: a master equation approach

classification cond-mat.stat-mech physics.chem-ph
keywords energyequationequilibriumfreemastermeasurementsnonequilibriumsystem
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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It has recently been shown that the Helmholtz free energy difference between two equilibrium configurations of a system may be obtained from an ensemble of finite-time (nonequilibrium) measurements of the work performed in switching an external parameter of the system. Here this result is established, as an identity, within the master equation formalism. Examples are discussed and numerical illustrations provided.

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    Out-of-equilibrium simulations with open-to-periodic boundary switching plus a tailored stochastic normalizing flow enable efficient topology sampling in the continuum limit of four-dimensional SU(3) Yang-Mills theory.