English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

We introduce a generalized Langevin model system for different non-Markovianeffects in the well and barrier regions of a potential, and use it tonumerically study the dependence of the barrier-crossing time. In theappropriate limits, our model interpolates between the theoreticalbarrier-crossing-time predictions by Grote and Hynes (GH), as well as by Pollaket al., which for a single barrier memory time can differ by several orders ofmagnitude. Our model furthermore allows to test an analytic rate theory forspace-inhomogeneous memory, which disagrees with our numerical results in thelong well-memory regime. In this regime, we find that short barrier memorydecreases the barrier-crossing time as compared to long barrier memory. This isin contrast with the short well-memory regime, where both our numerical resultsand GH theory predict an acceleration of the barrier crossing time withincreasing barrier memory time. Both effects, the `Markovian-barrieracceleration' and GH `non-Markovian-barrier acceleration' can be understoodfrom a committor analysis. Our model combines finite relaxation times oforthogonal degrees of freedom with a space-inhomogeneous coupling to suchdegrees, and represents a step towards more realistic modeling of physicalreaction coordinates.

Barrier-crossing times for different non-Markovian friction in well and barrier $-$ A numerical study