Tangles, knots and geometric simulation of solvation

Datum

19.03.2026

Zeit

11:00 - 12:00

Sprecher

Myfanwy Evans

Zugehörigkeit

University of Potsdam, Germany

Serie

MPI-CBG Thursday Seminar

Sprache

en

Hauptthema

Biologie

Host

Heather Harrington

Beschreibung

Using periodic surfaces as a scaffold is a convenient route to making periodic entanglements, which are interesting in the context of physics, biomaterials and chemical frameworks. I will present a systematic way of enumerating and characterising new tangled periodic structures, using low-dimensional topology and combinatorics. As a second part, the morphometric approach to solvation free energy is a geometry-based theory that incorporates a weighted combination of geometric measures over the solvent accessible surface for solute configurations in a solvent. I will demonstrate that employing this geometric technique in simulating the self assembly of sphere clusters, viruses and short flexible tubes results in an assortment of interesting geometric structures. This gives insight into the role of shape in the physical process of self assembly.

Letztmalig verändert: 24.02.2026, 07:38:33