Targeted free energy perturbation.
نویسنده
چکیده
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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عنوان ژورنال:
- Physical review. E, Statistical, nonlinear, and soft matter physics
دوره 65 4 Pt 2A شماره
صفحات -
تاریخ انتشار 2002