• Title of article

    TRANSITION PATH SAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark

  • Author/Authors

    Bolhuis، Peter.G. نويسنده , , Chandler، David نويسنده , , Dellago، Christoph نويسنده , , Geissler، Phillip.L. نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    28
  • From page
    291
  • To page
    318
  • Abstract
    This article reviews the concepts and methods of transition path sampling. These methods allowcomputational studies of rare events without requiring prior knowledge of mechanisms, reaction coordinates, and transition states. Based upon a statistical mechanics of trajectory space, they provide a perspective with which time dependent phenomena, even for systems driven far from equilibrium, can be examined with the same types of importance sampling tools that in the past have been applied so successfully to static equilibrium properties.
  • Keywords
    basins of attraction , rare events , potential surfaces , Kinetics , transition states , complex systems , trajectories
  • Journal title
    Annual Review of Physical Chemistry
  • Serial Year
    2002
  • Journal title
    Annual Review of Physical Chemistry
  • Record number

    121470