Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach
نویسندگان
چکیده
منابع مشابه
Near-equilibrium measurements of nonequilibrium free energy.
A central endeavor of thermodynamics is the measurement of free energy changes. Regrettably, although we can measure the free energy of a system in thermodynamic equilibrium, typically all we can say about the free energy of a nonequilibrium ensemble is that it is larger than that of the same system at equilibrium. Herein, we derive a formally exact expression for the probability distribution o...
متن کاملBias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements.
In 1997, Jarzynski proved a remarkable equality that allows one to compute the equilibrium free-energy difference DeltaF between two states from the probability distribution of the nonequilibrium work W done on the system to switch between the states, e-DeltaF/kappaT =e-W/kappaT [Jarzynski, C. (1997) Phys. Rev. Lett. 87, 2690-2693]. The Jarzynski equality provides a powerful free-energy differe...
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S ince the advent of techniques that enable experimentalists to manipulate individual macromolecules, there has been a need for accurate estimates of free-energy changes between an initial equilibrium state and a second equilibrium state that is arrived at by a nonequilibrium manipulation. Atomic force microscopy and optical laser tweezers, often using macromolecules attached to m-sized magneti...
متن کاملEquilibrium free-energy differences at different temperatures from a single set of nonequilibrium transitions.
Crook's fluctuation theorem (CFT) and Jarzynski equality (JE) are effective tools for obtaining free-energy difference ΔF(λ_{A}→λ_{B},T_{0}) through a set of finite-time protocol driven nonequilibrium transitions between two equilibrium states A and B [parametrized by the time-varying protocol λ(t)] at the same temperature T_{0}. Using the generalized dimensionless work function ΔW_{G}, we exte...
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We present a maximum likelihood argument for the Bennett acceptance ratio method, and derive a simple formula for the variance of free energy estimates generated using this method. This derivation of the acceptance ratio method, using a form of logistic regression, a common statistical technique, allows us to shed additional light on the underlying physical and statistical properties of the met...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 1997
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.56.5018