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- W2039631289 abstract "We show that the relative entropy, ${S}_{text{rel}}$, suggests a fundamental indicator of the success of multiscale studies, in which coarse-grained (CG) models are linked to first-principles (FP) ones. We demonstrate that ${S}_{text{rel}}$ inherently measures fluctuations in the differences between CG and FP potential energy landscapes, and develop a theory that tightly and generally links it to errors associated with coarse graining. We consider two simple case studies substantiating these results, and suggest that ${S}_{text{rel}}$ has important ramifications for evaluating and designing coarse-grained models." @default.
- W2039631289 created "2016-06-24" @default.
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- W2039631289 date "2010-06-29" @default.
- W2039631289 modified "2023-10-16" @default.
- W2039631289 title "Relative entropy as a universal metric for multiscale errors" @default.
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- W2039631289 doi "https://doi.org/10.1103/physreve.81.060104" @default.
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