Thematic Einstein Semester on
Geometric and Topological Structure of Materials
Summer Semester 2021
Speaker
Jacek Brodzki (U Southampton)
Title
Geometry and Topology of the space of conformers of chemical molecules and energy landscapes
Abstract
Chemical molecules that are sufficiently complex may have many conformers, which are molecules of the same chemical structure but a different geometry. Conformers of a given molecule can have substantially different chemical properties, and so it is a very interesting problem to understand the structure of the space of all conformers of a given molecule. Unfortunately, even for relatively small molecules, these spaces can be very complicated. In my talk, I will outline geometric and topological methods needed to create a model of the space of conformers as well as its energy landscape.
Contact
tes-summer2021@math.tu-berlin.de