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physics.chem-ph2022
Reactive Vortexes in a Naturally Activated Process: Non-Diffusive Rotational Fluxes at Transition State Uncovered by Persistent Homology
Farid Manuchehrfar, Huiyu Li, Ao Ma +1
Dynamics of reaction coordinates during barrier-crossing are key to understand activated processes in complex systems such as proteins. The default assumption from Kramers physical…
physics.chem-ph2015★ 84 cited
Recent Developments in Methods for Identifying Reaction Coordinates
Wenjin Li, Ao Ma
In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number o…