منابع مشابه
Escaping free-energy minima.
We introduce a powerful method for exploring the properties of the multidimensional free energy surfaces (FESs) of complex many-body systems by means of coarse-grained non-Markovian dynamics in the space defined by a few collective coordinates. A characteristic feature of these dynamics is the presence of a history-dependent potential term that, in time, fills the minima in the FES, allowing th...
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As submitted to Electronics Letters, except including an appendix giving pseudocode. Abstract An algorithm is derived for inferring a binary vector s given noisy observations of Asmodulo2, where A is a binary matrix. Here, the binary vector is replaced by a vector of probabilities, optimized by free energy minimization. Experiments on the inference of the state of a linear feedback shift regist...
متن کاملFree Energy Minimization
An algorithm is derived for inferring a binary vector s given noisy observations of Asmodulo2, where A is a binary matrix. The binary vector is replaced by a vector of probabilities, optimized by free energy minimization. Experiments on the inference of the state of a linear feedback shift register indicate that this algorithm supersedes Meier and Staaelbach's polynomial algorithm. (As + n) mod...
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" Interface free energy is the contribution to the free energy of a system due to the presence of an interface separating two coexisting phases at equilibrium ". It is also called interfacial free energy or surface tension. The content of the article is 1) the definition of the interface free energy from first principles of statistical mechanics; 2) a detailed exposition of its thermodynamical ...
متن کاملEscorted free energy simulations.
We describe a strategy to improve the efficiency of free energy estimates by reducing dissipation in nonequilibrium Monte Carlo simulations. This strategy generalizes the targeted free energy perturbation approach [C. Jarzynski, Phys. Rev. E 65, 046122 (2002)] to nonequilibrium switching simulations, and involves generating artificial, "escorted" trajectories by coupling the evolution of the sy...
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ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 1997
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed074p22.2