Statistics / Stat.CO

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Free energy computations by minimization of Kullback-Leibler divergence:   an efficient adaptive biasing potential method for sparse representations

Free energy computations by minimization of Kullback-Leibler divergence: an efficient adaptive biasing potential method for sparse representations

The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecular dynamics to escape free energy wells and estimating the free energy function, under the same object

Statistics MATH-PH Mathematics Physics

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