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2016

Gaussian approximations for transition paths in Brownian dynamics

Lu, Yulong, Stuart, Andrew M., Weber, Hendrik

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This paper is concerned with transition paths within the framework of the overdamped Langevin dynamics model of chemical reactions.

We aim to give an efficient description of typical transition paths in the small temperature regime.
We adopt a variational point of view and seek the best Gaussian approximation, with respect to Kullback-Leibler divergence, of the non-Gaussian distribution of the diffusion process.
We interpret the mean of this Gaussian approximation as the "most likely path" and the covariance operator as a means to capture the typical fluctuations around this most likely path.

Gaussian approximations for transition paths in Brownian dynamics · Around

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1967
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2005
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