Transport processes on a Potential Energy Surface with 4 wells, 4 index-1 saddles & a index-2 saddle
Channel: Academy of Athens
Date: 2022-06-09

Transport processes on a Potential Energy Surface with four wells, four index-1 saddles and an index-2 saddle

Makrina Agaoglou
Instituto de Ciencias Matematicas, Madrid, Spain

Abstract:
In this talk we will explore the phase space structures governing isomerization dynamics on a potential energy surface with four wells and an index-2 saddle. For this model, we analyze the influence that coupling both degrees of freedom of the system and breaking the symmetry of the problem have on the geometrical template of phase space structures that characterizes reaction, using the method of Lagrangian Descriptors.

Talk presented at the Research Center for Astronomy and Applied Mathematics of the Academy of Athens