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Jarzynski’s nonequilibrium work relations

Thanks to work by Jarzynski [3], excess heat production is known to be positive in a wide class of Markov processes. In Appendix A, we will demonstrate Jarzynski s nonequilibrium work relation. [Pg.356]

In Appendix A, we will demonstrate Jarzynski s nonequilibrium work relation. [Pg.368]

Jarzynski s nonequilibrium work relation is based on the following equality ... [Pg.368]

In this chapter, we will examine in depth the characteristic errors of two free energy techniques and present improved methods based on a better understanding of their behavior. The two techniques examined are free energy perturbation (FEP) [2] and nonequilibrium work (NEW) based on Jarzynski s equality [3-6]. These techniques are discussed in Chaps. 2 and 5. The FEP method is one of the most popular approaches for computing free energy differences in molecular simulation see, e.g., [1, 7-10]. The recently developed NEW method, which is closely related to FEP, is gaining popularity in both simulation [11-18] and experimental applications [19-21],... [Pg.199]


See other pages where Jarzynski’s nonequilibrium work relations is mentioned: [Pg.353]    [Pg.368]    [Pg.353]    [Pg.368]    [Pg.6]    [Pg.194]    [Pg.274]   


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