TY - JOUR A1 - Donati, Luca A1 - Schütte, Christof A1 - Weber, Marcus T1 - The Kramers turnover in terms of a macro-state projection on phase space T2 - Molecular Physics N2 - 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 machine learning techniques. ISOKANN describes the dynamics in terms of an invariant subspace projection of the Koopman operator defined in the entire state space, avoiding approximations due to dimensionality reduction and discretization. Our results are consistent with the Kramers turnover and show that in the low and moderate friction regimes, metastable macro-states and transition rates are defined in phase space, not only in position space. Y1 - 2024 UR - https://opus4.kobv.de/opus4-zib/frontdoor/index/index/docId/9452 IS - Ciccotti Special Issue (by invitation only) SP - e2356748 PB - Taylor & Francis ER -