Computational Modelling of Quantum Materials

Theoretical and computational modelling of quantum materials presents a powerful means for advancing this field. To this end, a fine selection of state-of-the-art computational methodologies and respective software have been developed that allow a detailed exploration of the electronic, magnetic, optical, and structural properties of these systems, which often serves as a first step towards designing novel materials with tailored properties. In our group, participating students will get hands-on experience using these methodologies to address some of the currently hotly discussed open questions in the field of quantum materials, such as, for example, the origin of high-temperature superconductivity or possible pathways to experimental realisations of exotic magnetic phases. Moreover, working in our group will provide a great opportunity to apply in practice and better understand the fundamental concepts of condensed matter physics, such as reciprocal space, Brillouin zone, Bloch state, etc.