We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Different approaches for evaluating exponentially weighted nonequilibrium relations.
- Authors
Reid, James C; Cunning, Benjamin V; Searles, Debra J
- Abstract
The Kawasaki identity (KI) and the Jarzynski equality (JE) are important nonequilibrium relations. Both of these relations take the form of an ensemble average of an exponential function and can exhibit convergence problems when the average of the exponent differs greatly from the log of the average of the exponential function. In this work, we re-express these relations so that only selected regions need to be evaluated in an attempt to avoid these convergence issues. In the context of measuring free energies, we compare our method to the JE and the literature standard approach, the maximum likelihood estimator (MLE), and show that in a system with asymmetric work distributions it can perform as well as the MLE. For the KI, we derive an analog to the MLE to compare with our relation and show that these two new relations improve on the KI and are complimentary to each other.
- Publication
The Journal of chemical physics, 2010, Vol 133, Issue 15, p154108
- ISSN
1089-7690
- Publication type
Journal Article
- DOI
10.1063/1.3486196