Revisiting the finite temperature string method for the calculation of reaction tubes and free energies.

@article{VandenEijnden2009RevisitingTF,
  title={Revisiting the finite temperature string method for the calculation of reaction tubes and free energies.},
  author={Eric Vanden-Eijnden and Maddalena Venturoli},
  journal={The Journal of chemical physics},
  year={2009},
  volume={130 19},
  pages={194103}
}
An improved and simplified version of the finite temperature string (FTS) method [W. E, W. Ren, and E. Vanden-Eijnden, J. Phys. Chem. B 109, 6688 (2005)] is proposed. Like the original approach, the new method is a scheme to calculate the principal curves associated with the Boltzmann-Gibbs probability distribution of the system, i.e., the curves which are such that their intersection with the hyperplanes perpendicular to themselves coincides with the expected position of the system in these… CONTINUE READING