Electronic Structure Theory is a successful and growing area of materials science, taking advantage of the increasing availability of high performance computers. Starting only from the knowledge of the types of atoms that make up the system (molecule, crystal, nanostructure, ...), students will learn how to accurately calculate the response properties of materials without any further experimental input, i.e. using only the fundamental laws of electrodynamics and quantum physics. Students get familiar with state-of-the-art theoretical and computational approaches to electronic excitations and theoretical spectroscopy (density functional theory, time-dependent density functional theory, Green's function methods). In practical classes, students gain hands-on experience in the use of various software packages for electronic structure simulations beyond the ground state. In the final weeks, they undertake a small simulation project in which they learn how to carry out simulations and analyse and present the numerical results.
- Kursleiter/in: Silvana Botti