138.058 Computational Materials Science
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2022W, VU, 4.0h, 6.0EC


  • Semester hours: 4.0
  • Credits: 6.0
  • Type: VU Lecture and Exercise
  • Format: Hybrid

Learning outcomes

After successful completion of the course, students are able to comprehend the materials presented in the lecture and to draw conclusions from them, as well as to actively communicate the contents presented during the lecture.

Subject of course

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) Kondo effect and impurity physics

5) Disorder and coherent potential approximation

Teaching methods

Lecture with integrated exercises



Mode of examination


Additional information

Course cancelled




Examination modalities


Course registration

Begin End Deregistration end
26.09.2022 19:00 17.10.2022 19:00


Study CodeObligationSemesterPrecon.Info
066 434 Materials Sciences Not specified
066 461 Technical Physics Mandatory elective
066 646 Computational Science and Engineering Not specified


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)

Previous knowledge

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)