The Jarzynski identity derived from general Hamiltonian or non-Hamiltonian dynamics reproducing NVT or NPT ensembles.

@article{Cuendet2006TheJI,
  title={The Jarzynski identity derived from general Hamiltonian or non-Hamiltonian dynamics reproducing NVT or NPT ensembles.},
  author={Michel A. Cuendet},
  journal={The Journal of chemical physics},
  year={2006},
  volume={125 14},
  pages={144109}
}
The Jarzynski identity (JI) relates nonequilibrium work averages to thermodynamic free energy differences. It was shown in a recent contribution [M. A. Cuendet, Phys. Rev. Lett. 96, 120602 (2006)] that the JI can, in particular, be derived directly from the Nose-Hoover thermostated dynamics. This statistical mechanical derivation is particularly relevant in the framework of molecular dynamics simulation, because it is based solely on the equations of motion considered and is free of any… CONTINUE READING
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