Finite temperature string method for the study of rare events.

  title={Finite temperature string method for the study of rare events.},
  author={E Weinan and Weiqing Ren and Eric Vanden-Eijnden},
  journal={The journal of physical chemistry. B},
  volume={109 14},
A method is presented for the study of rare events such as conformational changes arising in activated processes whose reaction coordinate is not known beforehand and for which the assumptions of transition state theory are invalid. The method samples the energy landscape adaptively and determines the isoprobability surfaces for the transition: by definition the trajectories initiated anywhere on one of these surfaces has equal probability to reach first one metastable set rather than the other… CONTINUE READING


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Understanding Molecular Simulation (Academic, San Diego)

  • D Frenkel, B. Smit
  • 1996
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