Targeted free energy perturbation
نویسندگان
چکیده
منابع مشابه
Targeted free energy perturbation.
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.
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2002
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.65.046122