A molecule is an example of an n-body system formed by the nuclei and the electrons of the constituent atoms. The space of all possible positions that the nuclei in a molecule can adopt is called the molecular configuration space. The study of these spaces is of particular interest in Chemistry since it can help to understand the relationship between the structural and chemical properties of molecules. In this talk I will present a mathematical framework to study configuration spaces of molecules. I will show that in this framework, configuration spaces come equipped with a group of symmetries which give rise to both principal bundles and orbifolds. I will also show how data analytic methods, such as Procrustes analysis, local dimensionality reduction and persistent homology, can be used to explore the geometric and topological properties of these configuration spaces.
Donnerstag, den 13. Juni 2019 um 13.30 Uhr, in Mathematicon, INF 205, Konferenzraum, 5. Stock Donnerstag, den 13. Juni 2019 at 13.30, in Mathematicon, INF 205, Konferenzraum, 5. Stock
Der Vortrag folgt der Einladung von The lecture takes place at invitation by Prof. Peter Albers