Optimum bias for fast-switching free energy calculations
نویسندگان
چکیده
منابع مشابه
Optimum bias for fast-switching free energy calculations
We derive the bias function that minimizes the statistical error of free energy differences calculated in work-biased fast-switching simulations. The optimum bias function is compared to other bias functions using a particle pulled through a viscous fluid as an illustrative example. Our analysis indicates that the uncertainty in the free energy is smallest if both dominant and typical work valu...
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2008
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2008.01.017