ArticleThe European physical journal. E, Soft matter2019
Non-Markovian barrier crossing with two-time-scale memory is dominated by the faster memory component.
Article in The European physical journal. E, Soft matter, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed, 36 citations in OpenAlex.
- Non-Markovian equilibrium and non-equilibrium barrier-crossing kinetics in asymmetric double-well potentials.The European physical journal. E, Soft matter · 2025Article
- The role of memory-dependent friction and solvent viscosity in isomerization kinetics in viscogenic media.Nature communications · 2024Article
- Accurate Memory Kernel Extraction from Discretized Time-Series Data.Journal of chemical theory and computation · 2024Article
- Chemically Specific Systematic Coarse-Grained Polymer Model with Both Consistently Structural and Dynamical Properties.JACS Au · 2024Article
- Fast protein folding is governed by memory-dependent friction.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Pair-Reaction Dynamics in Water: Competition of Memory, Potential Shape, and Inertial Effects.The journal of physical chemistry. B · 2022Review
- Non-Markovian modeling of protein folding.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Introducing Memory in Coarse-Grained Molecular Simulations.The journal of physical chemistry. B · 2021Article
- Negative friction memory induces persistent motion.The European physical journal. E, Soft matter · 2020Article
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3 authors at 1 institution in 1 country.
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Abstract
We investigate non-Markovian barrier-crossing kinetics of a massive particle in one dimension in the presence of a memory function that is the sum of two exponentials with different memory times, [Formula: see text] and [Formula: see text] . Our Langevin simulations for the special case where both exponentials contribute equally to the total friction show that the barrier-crossing time becomes independent of the longer memory time if at least one of the two memory times is larger than the intrinsic diffusion time. When we associate memory effects with coupled degrees of freedom that are orthogonal to a one-dimensional reaction coordinate, this counterintuitive result shows that the faster orthogonal degrees of freedom dominate barrier-crossing kinetics in the non-Markovian limit and that the slower orthogonal degrees become negligible, quite contrary to the standard time-scale separation assumption and with important consequences for the proper setup of coarse-graining procedures in the non-Markovian case. By asymptotic matching and symmetry arguments, we construct a crossover formula for the barrier crossing time that is valid for general multi-exponential memory kernels. This formula can be used to estimate barrier-crossing times for general memory functions for high friction, i.e. in the overdamped regime, as well as for low friction, i.e. in the inertial regime. Typical examples where our results are important include protein folding in the high-friction limit and chemical reactions such as proton-transfer reactions in the low-friction limit.
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