Description: The objective of this class is to introduce students to ab initio methods for electronic-structure calculations based on density-functional theory (DFT). The topics will be approached from the viewpoint of condensed-matter physics. In the first part of the semester, theoretical lectures will be accompanied by exercise sessions. The last few weeks of the term will be exclusively dedicated to hand-on tutorials. At the end of this course, participants are expected to be familiar with the theoretical foundation of DFT, to be able to perform a DFT calculation with good control of the given approximations, and to know how to interpret the outcoming results.
The course as a whole (theoretical lectures, exercises, and hands-on tutorials) can be offered in presence, in digital form, or even in a mixed regime, depending on the circumstances and on the students’ needs.
The course is addressed to Master’s students in theoretical physics. However, Master’s students in experimental physics, doctoral students in all specializations, and Bachelor’s students who are interested in (computational) electronic-structure theory are very welcome to participate. Good knowledge of quantum mechanics is the only prerequisite to attend this class.