First Principles Calculations for Materials with Strong Electronic Coulomb Correlations – Where Do We Stand?
12th June 2017, PHYSIKALISCHES KOLLOQUIUM, HNB, Ruhr-Universität Bochum
Start: 12th June 2017 12:15
End: 12th June 2017 01:30 p.m.
Silke Biermann, Ecole Polytechnique, Palaiseau Cedex, France
I. Eremin, Ruhr-Universität Bochum
Engineering novel materials with predefined properties is the dream of computational materials scientists. Systems with strong electronic Coulomb interactions are particularly prone to a high tunability of relevant properties. Designing computational tools to deal with correlated electron systems in a materials - specific manner is thus a key step for pushing forward nowadays predictive capabilities. In this talk, we review current strategies of combining dynamical mean-field techniques with electronic structure theory, with illustrations on d- and f-electron systems. In the second part, we will discuss current open questions and challenges, and describe further perspectives on the way to truly predictive many-body theories.