Nonequilibrium Equality for Free Energy Differences
- 7 April 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 78 (14), 2690-2693
- https://doi.org/10.1103/physrevlett.78.2690
Abstract
An expression is derived for the equilibrium free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the other. Two well-known identities emerge as limiting cases of this result.Keywords
This publication has 12 references indexed in Scilit:
- Plastic Deformation of Nanometer-Scale Gold Connective NecksPhysical Review Letters, 1995
- Absolute entropy of simple point charge model water by adiabatic switching processesThe Journal of Chemical Physics, 1994
- Molecular dynamics free energy calculation in four dimensionsThe Journal of Chemical Physics, 1994
- A finite-time variational method for determining optimal paths and obtaining bounds on free energy changes from computer simulationsThe Journal of Chemical Physics, 1993
- Free energy via thermostatted dynamic potential-energy changesPhysical Review E, 1993
- Simple analysis of noise and hysteresis in (slow-growth) free energy simulationsThe Journal of Physical Chemistry, 1991
- Canonical dynamics: Equilibrium phase-space distributionsPhysical Review A, 1985
- A unified formulation of the constant temperature molecular dynamics methodsThe Journal of Chemical Physics, 1984
- Statistical Mechanical Theory of Transport Processes. VII. The Coefficient of Thermal Conductivity of Monatomic LiquidsThe Journal of Chemical Physics, 1954
- Statistical Mechanics of Fluid MixturesThe Journal of Chemical Physics, 1935