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- W389180147 abstract "The role of intramolecular vibrational energy redistribution in conformational reactions has been a topic of continued interest since low barrier conformational reactions are examples of systems that are intrinsically non-statistical in nature. Nearly three decades ago, De Leon and Berne investigated the dynamics of a model isomerization system in great detail. Interestingly, this early study has bearings on a topic of current interest – the sampling of rare events. In this work we bring out this connection in terms of phase space structures known as reactive islands and thereby provide the anatomy of a rare event. En route, we obtain insights into the transition path sampling method for harvesting rare trajectories from a phase space perspective. We show that quantum dynamics is sensitive to the reactive islands, thereby answering a question raised by De Leon and Berne. Our classical-quantum correspondence studies raise the possibility of defining a quantum rare event." @default.
- W389180147 created "2016-06-24" @default.
- W389180147 creator A5022506512 @default.
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- W389180147 date "2015-08-01" @default.
- W389180147 modified "2023-09-25" @default.
- W389180147 title "Classical-quantum correspondence in a model for conformational dynamics: Connecting phase space reactive islands with rare events sampling" @default.
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- W389180147 doi "https://doi.org/10.1016/j.cplett.2015.05.011" @default.
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