The projection of a nonlocal mechanical system onto the irreversible generalized Langevin equation, II: Numerical simulations

Abstract

The irreversible generalized Langevin equation (iGLE) contains a nonstationary friction kernel that in certain limits reduces to the GLE with space-dependent friction. For more general forms of the friction kernel, the iGLE was previously shown to be the projection of a mechanical system with a time-dependent Hamiltonian. [R. Hernandez, J. Chem. Phys. 110, 7701 (1999)] In the present work, the corresponding open Hamiltonian system is further explored. Numerical simulations of this mechanical system illustrate that the time dependence of the observed total energy and the correlations of the solvent force are in precise agreement with the projected iGLE.

arXiv comment8 pages, 9 figures, submitted to J. Chem. Phys

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• A nonequilibrium equality for free energy differences
• The Entropy Production Fluctuation Theorem and the Nonequilibrium Work Relation for Free Energy Differences
• Ensemble Dependence of the Transient Fluctuation Theorem
• The Fluctuation Theorem and Green-Kubo Relations
• Chaotic dynamics, fluctuations, nonequilibrium ensembles
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