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Equilibrium Free Energies from Nonequilibrium Processes

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arxiv cond-mat/9802155 v1 pith:HIW3BXYE submitted 1998-02-13 cond-mat.stat-mech physics.chem-ph

Equilibrium Free Energies from Nonequilibrium Processes

classification cond-mat.stat-mech physics.chem-ph
keywords systemequilibriumfreeresultcaseconfigurationdifferencediscussed
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A recent result, relating the (irreversible) work performed on a system during a non-quasistatic process, to the Helmholtz free energy difference between two equilibrium states of the system, is discussed. A proof of this result is given for the special case when the evolution of the system in question is modelled by a Langevin equation in configuration space.

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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.