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Oberseminar: Aktuelle Fragen der Theoretischen Physik: Vortrag am 20.06.2017

1. Institut für Theoretische Physik
2. Institut für Theoretische Physik
3. Institut für Theoretische Physik
4. Institut für Theoretische Physik

Transition state theory with colored noise

Fabio Revuelta (Universidad Politécnica de Madrid)

The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations due to the ingent number of particles that form the bath that surrounds the system under study. Thus, several different methods have been developed to speed up these extremely demanding calculations, while adequately describing the reaction process. Transition State Theory (TST) [1] is certainly one of the most successful methods for this purpose. TST is able to (i) identify reactive trajectories, and (ii) compute reaction rates. This theory is based on the study of the transition state or activated complex that is formed when the reaction takes places, evolving from the reactants to the products. The transition state is an intermediate configuration that lives at the top of the energetic barrier that separates these two states, and acts as a bottleneck for chemical reactivity.

Ort : Universität, Raum 4.331 (NWZ II), Pfaffenwaldring 57, Stuttgart-Vaihingen
Zeit: 13:15 Uhr

Bei Fragen und Anregungen zum Oberseminar wenden Sie sich bitte an Herrn Prof. Dr. Günter Wunner.


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