Universität Wien FIND
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260041 PR Laboratory Computational Quantum Mechanics (2008W)

Part 1

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

Vorbesprechung: Di 7.10.2008 14:00 HS 2 Physik, Strudlhofgasse 4, EG, 1090 Wien.

Nach Vereinbarung in geblockter Form.

Details

max. 18 participants
Language: German

Lecturers

Classes (iCal) - next class is marked with N

Friday 31.10. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 07.11. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 14.11. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 21.11. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 28.11. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 05.12. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 12.12. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 19.12. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 09.01. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 16.01. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 23.01. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 30.01. 14:30 - 18:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien

Information

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: Mo 07.09.2020 15:40