CIM Seminar with Senja Barthel
- Date: –13:00
- Location: Ångströmlaboratoriet, Lägerhyddsvägen 1 Å4004
- Lecturer: Senja Barthel
- Organiser: The Centre for Interdisciplinary Mathematics
- Contact person: Ekaterina Toropova
Title: Shapes in materials science: Analysing the geometry and topology of 3-periodic scalar fields for diffusion modelling
Abstract: Many properties in chemistry are related to shapes. These shapes can be found in the bond-network of a molecule, or be the shapes of electronic densities, the pore shapes of nanoporous materials, the shapes of configuration landscapes whose minimal energy paths give catalytic pathways, etc. Chemist often have a good intuition on how to think about shape and its impact, and mathematical methods can help to translate and quantify their intuition.
In this talk, I will give a brief overview of some former projects where geometric questions in materials science played a role. Then I will focus on an ongoing project that develops of a cost-efficient multi-scale model for diffusion in crystalline materials from studying the geometry and topology of 3-periodic scalar fields (e.g. the potential of ions in the electrolyte). This is a collaboration with Amber Mace.