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20232026
most citedRevealing the Atomistic Mechanism of Rare Events in Molecular Dynamics

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physics.chem-ph2024

The Kramers turnover in terms of a macro-state projection on phase space

Luca Donati, Christof Schutte, Marcus Weber

We have investigated how Langevin dynamics is affected by the friction coefficient using the novel algorithm ISOKANN, which combines the transfer operator approach with modern mach…