04339nam a22006375i 4500 978-3-031-40534-1 DE-He213 20251030110826.0 cr nn 008mamaa 231026s2024 sz | s |||| 0|eng d 9783031405341 978-3-031-40534-1 10.1007/978-3-031-40534-1 doi QC310.15-319 PHH bicssc SCI065000 bisacsh PHH thema Louwerse, Miranda. author. aut http://id.loc.gov/vocabulary/relators/aut 66770 Efficient Control and Spontaneous Transitions [electronic resource] / by Miranda Louwerse. 1st ed. 2024. Cham : Springer Nature Switzerland : Imprint: Springer, 2024. XIII, 113 p. 23 illus., 21 illus. in color. online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Springer Theses, Recognizing Outstanding Ph.D. Research, 2190-5061 Chapter 1: Introduction -- Chapter 2: Theoretical Background -- Chapter 3: Information Thermodynamics of Transition Paths -- Chapter 4: Multidimensional Minimum-Work Protocols -- Chapter 5: Connections between Minimum-Work Protocols and Transition Paths -- Chapter 6 Conclusions. This thesis addresses deep questions that cut to the physical and informational essence of central chemical quantities such as transition paths and reaction mechanisms and proposes fundamental new connections between transition-path theory, linear-response theory, nonequilibrium thermodynamics, and information theory. The author investigates slow, energetically efficient driving protocols that drive a system between conformations corresponding to endpoints of a reaction, aiming to find connections between principles of efficient driving and the spontaneous transition mechanism in the absence of driving. First, an alternative perspective of transition-path theory is developed that unifies it with stochastic thermodynamics to describe flows of entropy, energy, and information during the reaction. This also provides an optimization criterion for selecting collective variables. Next, protocols are designed which invert the magnetization of a 3×3 Ising model with minimal energetic cost,and it is determined that using multiple control parameters allows the system to be driven along a fast-relaxing pathway between reaction endpoints. Finally, the author compares these protocols with the spontaneous transition mechanism for magnetization inversion in the same Ising model, finding that designed protocols capture general features of the spontaneous mechanism and energetics given the constraints on the control parameters. This work represents a major step forward in our understanding of rare events and provides a basis for investigating the connection between efficient protocols and spontaneous transition mechanisms which can be further probed in a wider variety of systems. Thermodynamics. 66400 Biophysics. 66239 Biomolecules. 66771 Biochemistry. 65465 Reaction mechanisms (Chemistry). 66772 Coding theory. 65513 Information theory. 57783 Condensed matter. 66773 Thermodynamics. 66400 Molecular Biophysics. 66774 Biochemistry. 65465 Reaction Mechanisms. 66775 Coding and Information Theory. 65515 Phase Transitions and Multiphase Systems. 66776 SpringerLink (Online service) Springer Nature eBook Printed edition: 9783031405334 Printed edition: 9783031405358 Printed edition: 9783031405365 Springer Theses, Recognizing Outstanding Ph.D. Research, 2190-5061 66370 https://doi.org/10.1007/978-3-031-40534-1 ZDB-2-CMS ZDB-2-SXC 56450 56450