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Efficient transition path sampling for nonequilibrium stochastic dynamics.

G E Crooks1, D Chandler

  • 1Department of Chemistry, University of California at Berkeley, Berkeley 94720, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|August 11, 2001
PubMed
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Transition path sampling efficiently samples large fluctuations in nonequilibrium systems. This method simulates the Maier-Stein system at unprecedentedly low noise levels.

Area of Science:

  • Statistical Mechanics
  • Computational Physics

Background:

  • Nonequilibrium systems exhibit complex dynamics.
  • Simulating large fluctuations is computationally challenging.

Purpose of the Study:

  • To adapt transition path sampling for efficient simulation of large fluctuations.
  • To apply this method to the Maier-Stein system at low noise intensities.

Main Methods:

  • Transition path sampling methodology.
  • Langevin equations of motion.
  • Simulation of the Maier-Stein system.

Main Results:

  • Efficient sampling of large fluctuations achieved.
  • Successful simulation of the Maier-Stein system at significantly lower noise intensities than previously possible.

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Conclusions:

  • Transition path sampling is effective for studying rare events in nonequilibrium systems.
  • The adapted methodology enables simulations under previously inaccessible conditions.