Skip to main content
SpringerLink
Log in

Nonequilibrium Measurements of Free Energy Differences for Microscopically Reversible Markovian Systems

  • Published:
Journal of Statistical Physics Aims and scope Submit manuscript

Abstract

An equality has recently been shown relating the free energy difference between two equilibrium ensembles of a system and an ensemble average of the work required to switch between these two configurations. In the present paper it is shown that this result can be derived under the assumption that the system's dynamics is Markovian and microscopically reversible.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

REFERENCES

  1. C. Jarzynski, Nonequilibrium equality for free energy differences, Phys. Rev. Lett. 78(14):2690-2693 (1997).

    Google Scholar 

  2. C. Jarzynski, Equilibrium free energy differences from nonequilibrium measurements: A master equation approach, Phys. Rev. E. 56(5):5018-5035 (1997).

    Google Scholar 

  3. D. L. Beveridge and F. M. DiCapua, Free energy via molecular simulation: Applications to chemical and biomolecular systems, Annu. Rev. Biophys. Biophys. Chem. 18:431-92 (1989).

    Google Scholar 

  4. T. P. Straatsma and J. A. McCammon, Computational alchemy, Annu. Rev. Phys. Chem. 43:407-435 (1992).

    Google Scholar 

  5. R. W. Zwanzig, High-temperature equation of state by a perturbation method: I. nonpolar gases, J. Chem. Phys. 22:1420-1426 (1954).

    Google Scholar 

  6. G. R. Grimmett and D. R. Stirzaker, Probability and Random Processes(Clarendon Press, Oxford, 2nd edition, 1992).

    Google Scholar 

  7. S. R. de Groot and P. Mazur, Nonequilibrium Thermodynamics(North-Holland, Amsterdam, 1962).

    Google Scholar 

  8. D. Chandler, Introduction to Modern Statistical Mechanics(Oxford University Press, New York, 1987), pp. 165.

    Google Scholar 

  9. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, Equation of state calculations by fast computing machines, J. Chem. Phys. 21:1087-1092 (1953).

    Google Scholar 

  10. K. K. Mon and R. B. Griffiths, Chemical potential by gradual insertion of a particle in monte carlo simulation, Phys. Rev. A. 31:956-959 (1985).

    Google Scholar 

  11. E. T. Jaynes, Information theory and statistical mechanics, Phys. Rev. 106:620-630 (1957).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, University of California, Berkeley, California, 94720;

    Gavin E. Crooks

Authors
  1. Gavin E. Crooks
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Crooks, G.E. Nonequilibrium Measurements of Free Energy Differences for Microscopically Reversible Markovian Systems. Journal of Statistical Physics 90, 1481–1487 (1998). https://doi.org/10.1023/A:1023208217925

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1023208217925

Search

Navigation