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Entropy production and irreversibility in transition state theory
Pajger, Šimon ; Ryabov, Artem (advisor) ; Novotný, Tomáš (referee)
Title: Entropy production and irreversibility in transition state theory Author: Šimon Pajger Department: Department of Macromolecular Physics Supervisor: RNDr. Artem Ryabov, Ph.D., Department of Macromolecular Physics Abstract: Modern experiments focusing on durations of nonequilibrium transi- tions provide valuable information on the underlying microscopic kinetics. Theo- retically, outcomes of such experiments are well understood for time-independent free energy landscapes only. Amongst the most fundamental results in this area belongs an identity of distributions of times of forward and backward transitions between arbitrary two points of a free energy landscape. However, recently it has been experimentally found, that this identity can be broken by an action of external time-dependent force. In the thesis, we explore this situation theo- retically and discuss under which conditions the identity of distributions can be restored. To this end, we introduce distributions of transition times weighted by the entropy production. In particular, we show that it is possible to find weight for each trajectory, such that weighted distributions of transition times resulting from such weights are identical. Assuming an external harmonic time-dependent force, we discuss two experimentally relevant situations. First,...
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