Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures
نویسندگان
چکیده
منابع مشابه
Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperatures.
Dynamical averages based on functionals of dynamical trajectories, such as time-correlation functions, play an important role in determining kinetic or transport properties of matter. At temperatures of interest, the expectations of these quantities are often dominated by contributions from rare events, making the precise calculation of these quantities by molecular dynamics simulation difficul...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2011
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3592152