Applying Bi-directional jarzynski methods to quasi-equilibrium states

James C. Reid, Stephen R. Williams, Debra J. Searles

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)

    Abstract

    Measuring free energy differences between states is of fundamental importance to understanding and predicting the behaviour of thermodynamic systems. The Jarzynski equality provides a method for measuring free energy differences using non-equilibrium work paths and represents a major advance of modern thermodynamics. Recent work has extended the theory by using work paths in both directions between the states to improve the accuracy of the free energy measurement. It has also been shown that the Jarzynski equality can be adapted to measure the free energy of quasi-equilibrium systems such as glasses. Here we combine these advances to accurately measure the free energy difference between a glassy state and equilibrium using bi-directional methods. For this system however, the result is not as accurate as that achieved using the work evaluated in a single direction.

    Original languageEnglish
    Pages (from-to)357-362
    Number of pages6
    JournalAustralian Journal of Chemistry
    Volume63
    Issue number3
    DOIs
    Publication statusPublished - 2010

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