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260041 PR Laboratory Computational Quantum Mechanics - Part I (2010W)

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

FR wtl von 08.10.2010 bis 28.01.2011 13.30-17.00 Ort: Kurt-Gödel-Hörsaal, Strudlhofgasse 4, EG, 1090 Wien, nach Übereinkunft auch geblockt

Vorbesprechung: FR 8.10.2010 13:30 Kurt-Gödel-Hörsaal, 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. It is also possible to write programs in selected areas of computational science (Monte Carlo, kinetic Monte-Carlo, molecular dynamics, solving the Schrödinger equation).

Assessment and permitted materials

Based on the handed in minutes.

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.

Reading list

VASP online Manual

Association in the course directory

PD217(teilweise),311(teilweise) (Teil 1 eines 6-stündigen PR)

Last modified: Fr 31.08.2018 08:55