Learned about solid state physics and want to see it working for real life systems? The Computational Materials Science course will cover the some basic numerical approaches to solids. In the computer exercises you will get hands-on experience with Wien2k and Wannier90 codes as well as introduction to many-body techniques based on exact diagonalization.

1) Electronic structure with density functional theory
2) Wannier functions and construction of lattice models
3) Introduction to many-body methods, Fock space, exact diagonalization
4) Transport and optical properties

 The first lecture will take place on Monday October 8 at 15:30.

 Computer exercises:

18.10. 9:00-12:00

8.11. 9:00-12:00

6.12. 9:00-12:00

TBA

There are four blocks with lectures and one computer exercise each. In one of the fields the student should follow her/his own path beyond the exercise and present a talk on it in January. Grades will be based on this talk.

Lecture notes and exercises will be made available via TISS.

Recommended further reading:

https://www.cond-mat.de/events/correl11/manuscripts/kunes.pdf    (Lecture notes to Wannier functions)

https://arxiv.org/pdf/cond-mat/0211443.pdf  (Lecture notes to density functional theory and band structure methods)

Quantum mechanics (Schrodinger equation, Pauli principle) and linear aglebra (Hermitean and unitary operators, eigenvalues and eigenvectors)

Basics of solid state theory (Bloch theorem, reciprocal space, Fermi energy and Fermi surface)