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    PROCEDIA
    2010
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    Free energy computation by controlled Langevin dynamics
    13 years 11 months ago
    Free energy computation by controlled Langevin dynamics
    Download  page.mi.fu-berlin.de
    We propose a nonequilibrium sampling method for computing free energy profiles along a given reaction coordinate. The method consists of two parts: a controlled Langevin sampler ...
    Juan C. Latorre, Carsten Hartmann, Christof Sch&uu...
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