Barrier-crossing transition-path times for non-Markovian systems

By simulation and asymptotic theory, we investigate the transition-path time of a one-dimensional finite-mass reaction coordinate crossing a double-well potential in the presence of non-Markovian friction. First, we consider single-exponential memory kernels and demonstrate that memory accelerates transition paths compared to the Markovian case, especially in the low-mass/high-friction limit. Then, we generalize to multi-exponential kernels and construct an asymptotic formula for the transition-path time that compares well with simulation data.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-09-16
DOI
https://doi.org/10.1063/5.0225742
Citations
3
Primary Topic
stochastic dynamics and bifurcation
Type
article
Field-Weighted Citation Impact
0.84
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article

Barrier-crossing transition-path times for non-Markovian systems

Roland R. Netz, Laura Lavacchi
3 citations
The Journal of Chemical Physics
stochastic dynamics and bifurcation
0.84
article

Barrier-crossing transition-path times for non-Markovian systems

Roland R. Netz, Laura Lavacchi
article en
3 citations

Abstract

By simulation and asymptotic theory, we investigate the transition-path time of a one-dimensional finite-mass reaction coordinate crossing a double-well potential in the presence of non-Markovian friction. First, we consider single-exponential memory kernels and demonstrate that memory accelerates transition paths compared to the Markovian case, especially in the low-mass/high-friction limit. Then, we generalize to multi-exponential kernels and construct an asymptotic formula for the transition-path time that compares well with simulation data.

The Journal of Chemical PhysicsVol. 161(11)
Freie Universität Berlin (DE)
Openalex Percentile: Top 28%
stochastic dynamics and bifurcation
0.84
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