Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics
Author:
Publisher
MDPI AG
Subject
General Physics and Astronomy
Link
http://www.mdpi.com/1099-4300/16/1/41/pdf
Reference82 articles.
1. Nonequilibrium equality for free energy differences;Jarzynski;Phys. Rev. Lett,1997
2. Equilibrium free energy differences from nonequilibrium measurements: A master-equation approach;Jarzynski;Phys. Rev. E,1997
3. Path-ensemble averages in systems driven far from equilibrium;Crooks;Phys. Rev. E,2000
4. Nonequilibrium measurements of free energy differences for microscopically reversible Markovian systems;Crooks;J. Stat. Phys,1998
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