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260043 PR Laboratory Computational Quantum Mechanics (2008S)

Part II

5.00 ECTS (3.00 SWS), SPL 26 - Physik
Continuous assessment of course work

25.-28.3.2008 9:00-18:00, HS 2, Strudlhofgasse 4, EG, 1090 Wien.


max. 18 participants
Language: German



Currently no class schedule is known.


Aims, contents and method of the course

Introduction to the simulation of quantum mechanical many electron systems, focusing on solid state physics and materials science. Fundamental materials properties, such as the electronic band structure, effective forces between ions and atoms, vibrational frequencies, mechanical properties, thermodynamic properties, as well as magnetic properties are predicted using simulations. The used program, VASP, was developed in Vienna and is used world wide. In the second part, selected publications focusing on materials science problems will be distributed, and the students are supposed to reproduce these results with little support of the supervisor.

Assessment and permitted materials

Minimum requirements and assessment criteria

Use of quantum mechanical simulation programs such as VASP (Vienna ab initio simulation package). Application to complex questions in materials science. Introduction to the operating system Linux, scripting in Linux, and graphical tools for the visualization of data.

Examination topics

Computeroriented. Processes in solids and materials science are simulated.The complexity of the examples increases gradually. In the second part, selected publications are supposed to be reproduced by the students.

Reading list

VASP online Manual, Diverse Publikationen

Association in the course directory

PD217(teilweise),311(teilweise) (Teil 2 eines 6-stündigen PR)

Last modified: Fr 31.08.2018 08:55