Kinetic reconstruction of the free-energy landscape.

  title={Kinetic reconstruction of the free-energy landscape.},
  author={Jan Wedekind and David Reguera},
  journal={The journal of physical chemistry. B},
  volume={112 35},
We present a new general method to trace back a lot of valuable information from direct simulations and experiments of activated processes. In particular, it allows the reconstruction of the free-energy landscape for an arbitrary reaction coordinate directly from the out-of-equilibrium dynamics of the process. We demonstrate the power of this concept by its application to a molecular dynamics simulation of nucleation of a Lennard-Jones vapor. The same method can be also applied to Brownian… CONTINUE READING