Berlin 2018 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 9: Statistical Physics far from Thermal Equilibrium

DY 9.11: Vortrag

Montag, 12. März 2018, 12:45–13:00, BH-N 334

Investigating the Reaction Dynamics for a Thermally Coupled System with a Rank-1 Saddle Potential — •Robin Bardakcioglu, Philippe Schraft, Johannes Reiff, Martin Tschöpe, Matthias Feldmaier, Jörg Main, and Günter Wunner — 1. Institut für Theoretische Physik, Universität Stuttgart, Germany

Transition State Theory provides an atomistic approach to the calculation and prediction of chemical reaction rates. By analyzing classical equations of motion for a molecular system, one can determine the reactant and product regions in phase space. With the use of an invariant manifold approach, we can find recrossing-free dividing surfaces between these regions, which allow us to determine the reaction rate for an open, time-dependently driven system. We use these methods to investigate the reaction dynamics of a system subject to Langevin dynamics, i.e. thermal noise.