Information Thermodynamics of the Transition-Path Ensemble.

  title={Information Thermodynamics of the Transition-Path Ensemble.},
  author={Miranda D. Louwerse and David A. Sivak},
  journal={Physical review letters},
  volume={128 17},
The reaction coordinate describing a transition between reactant and product is a fundamental concept in the theory of chemical reactions. Within transition-path theory, a quantitative definition of the reaction coordinate is found in the committor, which is the probability that a trajectory initiated from a given microstate first reaches the product before the reactant. Here we develop an information-theoretic origin for the committor and show how selecting transition paths from a long ergodic… 

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