Targeted free energy perturbation
- 3 April 2002
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 65 (4), 046122
- https://doi.org/10.1103/physreve.65.046122
Abstract
In this paper generalization of the free energy perturbation identity is derived, and a computational strategy based on this result is presented. A simple example illustrates the efficiency gains that can be achieved with this method.Keywords
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