Lavacchi, Laura and Netz, Roland R. (2024) Barrier-crossing transition-path times for non-Markovian systems. The Journal of Chemical Physics, 161 (11).
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Official URL: https://doi.org/10.1063/5.0225742
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.
Item Type: | Article |
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Subjects: | Mathematical and Computer Sciences Mathematical and Computer Sciences > Mathematics Mathematical and Computer Sciences > Mathematics > Applied Mathematics |
Divisions: | Department of Mathematics and Computer Science > Institute of Mathematics |
ID Code: | 3268 |
Deposited By: | Lukas-Maximilian Jaeger |
Deposited On: | 14 May 2025 10:33 |
Last Modified: | 14 May 2025 10:33 |
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