Detalle de: A temperature-dependent nudged-elastic-band algorithm

In this paper we present a method to introduce temperature corrections to a minimum-energy reaction path. The method is based on the maximization of the flux for the Smoluchowski equation and it is implemented using a nudged-elastic-band algorithm. We present the results of applying the algorithm to transitions in three systems—the three-well potential, the alanine dipeptide, and a molecular ratchet—and also remark on some points related to the location of temperature-dependent paths and the nature of the transition state.