Titlebook: Efficient Control and Spontaneous Transitions; Miranda Louwerse Book 2024 The Editor(s) (if applicable) and The Author(s), under exclusive

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Conclusions,This chapter summarizes the work in this thesis and provides suggestions for future investigation of the connection between efficient protocols and spontaneous transition mechanism, outlining general directions of investigation and particular model systems.

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Information Thermodynamics of Transition Paths,ics. These provide a thermodynamic measure of the relevance of a particular degree of freedom to the reaction, yielding an optimization criterion for selecting collective variables that describe a reaction. (Material in this chapter also appears in Louwerse and Sivak (Phys Rev Lett 128:170602, 2022).)

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https://doi.org/10.1007/978-3-531-92749-7he fundamentals of transition-path theory are then reviewed in Sect. 2.2 and the utility of the committor as a reaction coordinate is discussed in more detail. In Sect. 2.3, the thermodynamics of control protocols are reviewed, followed by introduction of minimum-work protocols in the linear-response regime and the generalized friction.

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https://doi.org/10.1007/978-3-322-95432-9lative to a single control parameter, allows the system to be driven along a fast-relaxing pathway between reaction endpoints. An accounting of the work done by each control parameter is also presented and analyzed (Material in this chapter also appears in Ref. Louwerse and Sivak, J. Chem. Phys. 156:194108, 2022).

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https://doi.org/10.1007/978-3-658-17981-6iven the constraints on the control parameters. Based on these results, the conditions under which a strong correspondence between efficient control protocols and spontaneous transition mechanisms could be found are discussed (Material in this chapter also appears in Ref. Louwerse, Thesis code for 2D Ising model, 2022. .).

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Theoretical Background,he fundamentals of transition-path theory are then reviewed in Sect. 2.2 and the utility of the committor as a reaction coordinate is discussed in more detail. In Sect. 2.3, the thermodynamics of control protocols are reviewed, followed by introduction of minimum-work protocols in the linear-response regime and the generalized friction.

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Multidimensional Minimum-Work Protocols,lative to a single control parameter, allows the system to be driven along a fast-relaxing pathway between reaction endpoints. An accounting of the work done by each control parameter is also presented and analyzed (Material in this chapter also appears in Ref. Louwerse and Sivak, J. Chem. Phys. 156:194108, 2022).

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Connections Between Minimum-Work Protocols and Transition Paths,iven the constraints on the control parameters. Based on these results, the conditions under which a strong correspondence between efficient control protocols and spontaneous transition mechanisms could be found are discussed (Material in this chapter also appears in Ref. Louwerse, Thesis code for 2D Ising model, 2022. .).