Targeted free energy perturbation

Details Targeted free energy perturbation Targeted free energy perturbation

2001-09-25

arxiv.org/abs/cond-mat/0109461v1

Phys.Rev. E65 (2002) 046122

Physics

Condensed Matter

Statistical Mechanics

8 pages + 1 color figure

Scientific paper

10.1103/PhysRevE.65.046122

A 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.

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