Applying bi-directional Jarzynski methods to quasi-equilibrium states

Reid, James C., Williams, Stephen R. and Searles, Debra J. (2010) Applying bi-directional Jarzynski methods to quasi-equilibrium states. Australian Journal of Chemistry, 63 3: 357-362.


Author Reid, James C.
Williams, Stephen R.
Searles, Debra J.
Title Applying bi-directional Jarzynski methods to quasi-equilibrium states
Journal name Australian Journal of Chemistry   Check publisher's open access policy
ISSN 0004-9425
1445-0038
Publication date 2010-01
Sub-type Article (original research)
DOI 10.1071/CH09458
Volume 63
Issue 3
Start page 357
End page 362
Total pages 6
Place of publication Collingwood, VIC, Australia
Publisher CSIRO Publishing
Language eng
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 usingwork 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.
Keyword free energy differences
Equality
Averages
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Australian Institute for Bioengineering and Nanotechnology Publications
 
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