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260041 PR Practicle exercise computational quantum mechanics I (2007W)
Teil 1
Continuous assessment of course work
Labels
Vorbesprechung: Di 2.10.2007 14:00
Details
max. 18 participants
Language: German
Lecturers
Classes (iCal) - next class is marked with N
- Wednesday 10.10. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 17.10. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 24.10. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 31.10. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 07.11. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 14.11. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 21.11. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 28.11. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 05.12. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 12.12. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 09.01. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 16.01. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 23.01. 14:00 - 16:30 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Wednesday 30.01. 14:00 - 16:30 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
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