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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 eve...

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Podrobná bibliografie
Hlavní autoři: Chodera, John D., Swope, William C., Noé, Frank, Prinz, Jan-Hendrik, Shirts, Michael R., Pande, Vijay S.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Institute of Physics 2011
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3143679/
https://ncbi.nlm.nih.gov/pubmed/21721612
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3592152
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