The Condensed Matter Theory Group works on the theoretical development and numerical implementation of many-body approaches for the description of electronic excitations. The tools used are based on density functional theory and many-body perturbation theory. Examples of applications are the simulation of spectroscopic properties of "real" materials of technological interest, that can range from simple bulk crystals to non-stoichiometric, doped, alloyed compounds, or to nanostructured materials and interfaces. At the same time, a "materials by design" approach based on global structural prediction and high-throughput calculations is followed to propose novel materials, that are then further characterized with the same techniques used for known materials.
Present research activities are particularly focused on the understanding of electronic properties of materials for energy and the design of new candidate materials for applications in the domain of energy production, storage and saving. The group has a network of theoretical and experimental collaborators in Germany and outside Germany. In particular, the group is member of the European Theoretical Spectroscopy Facility (ETSF, www.etsf.eu).
Professor Botti's work focuses on many-body approaches to describe electronic excitations in complex materials. One example application is the first-principles simulation (i.e. without experimental parameters) of the response of a material to an external perturbation such as incoming electromagnetic radiation or particles. This field of research is now known as "theoretical spectroscopy". The materials studied can range from simple bulk crystals to non-stoichiometric, doped, and alloyed compounds, as well as to nanostructured systems and interfaces. Moreover, these materials can be experimental samples or still unreported compounds based on calculations predicting them to be thermodynamically stable.
Professor Botti teaches Master's degree students in the area of solid state physics, nanophysics and materials science. During her first year in Jena, she taught Solid State Physics II and Electronic Structure Theory. The latter course included a practical tutorial which dealt with learning how to run computer codes for electronic properties.
The Botti group develops, implements in numerical codes, and applies first-principles methods for research on electronic excitations. Such methods are based on (time-dependent) density functional theory and many-body perturbation theory. The group possesses a computer cluster consisting of 750 cores.