Prof. Dr. Caterina Cocchi


Electronic Structure Theory

Welcome to the Electronic Structure Theory (EST) group

We are a young and enthusiastic team investigating the electronic structure of various materials, from organic molecules and crystals, to inorganic semiconductors and hybrid interfaces

The main focus of our research is on light-matter interaction processes in the static and ultrafast dynamic regime. We study excitations induced by electromagnetic radiation from the infrared to the hard x-ray spectral region. 

Our research is based on computational methods implementing first-principles quantum-mechanical approaches, such as time-dependent density-functional theory (TDDFT) and many-body perturbation theory (MBPT).

With these tools, we aim to contribute addressing some of the grand challenges of our society such as the discovery of stable, non-toxic, non-polluting materials for energy storage and conversion, the development of materials for quantum technologies, and the transition toward artificial intelligence

(Changed: 19 Jan 2024)  | 
Zum Seitananfang scrollen Scroll to the top of the page