Organic Materials by Geometrical Design

Many functional organic materials are ordered periodic systems that can be classified according to their symmetry group, tessellation class, etc.
In this project, we aim to answer two questions:

1. Does material’s topology define its chemical and physical properties?
2. Can new functional materials be designed using geometrical principles instead of (or together with) electronic structure considerations?

We tackle these questions using a combination of computational materials science and differential geometry. This project aims to generate new design principles for functional organic materials and test a fundamental concept of manipulating chemistry and physics through geometry.

Contributors:

Ganna Gryn’ova (CCC)
Peter Smillie (Heidelberg University)

Members:

Dominique Ostermayer (CCC)