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Area of Science:

  • Chemical Physics
  • Statistical Mechanics

Background:

  • Understanding reaction dynamics in complex systems is crucial.
  • Non-Markovian friction significantly impacts molecular processes.
  • Double-well potentials model many chemical reactions.

Purpose of the Study:

  • Investigate the effect of non-Markovian friction on transition-path time.
  • Analyze how memory kernels influence reaction coordinate dynamics.
  • Develop an accurate theoretical model for transition-path time.

Main Methods:

  • Computational simulations were employed.
  • Asymptotic theory was used to derive analytical results.
  • Single- and multi-exponential memory kernels were considered.

Main Results:

  • Non-Markovian friction was found to accelerate transition paths compared to Markovian friction.
  • The effect is most pronounced in the low-mass/high-friction regime.
  • An asymptotic formula for transition-path time showed good agreement with simulation data.

Conclusions:

  • Memory effects in friction play a significant role in reaction dynamics.
  • The developed asymptotic formula provides a valuable tool for predicting transition-path times.
  • This work offers insights into reaction mechanisms under complex friction conditions.