CSD Colloquium
A mathematical and numerical analysis perspective on electronic structure calculation methods
by
→
Europe/Zurich
PSI Auditorium (WHGA/001)
PSI Auditorium
WHGA/001
Description
The first part of the talk will address the construction of error estimators for Density-Functional Theory. I will focus on plane-wave (Fourier spectral) discretization methods commonly used in condensed-matter physics and materials science. In the second part of the talk, I will discuss the mathematical structure of quantum embedding methods, allowing to deal with large systems of strongly-correlated electrons. I will review the general principles underlying this type of methods and present some recent results on the most popular two approaches, namely DMFT (Dynamical Mean-Field Theory) and DMET (Density-Matrix Embedding Theory).
Organised by
PSI Center for Scientific Computing, Theory and Data (CSD)
Matthias Krack