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260043 PR Laboratory Computational Quantum Mechanics - Part II (2012S)
Continuous assessment of course work
Labels
Ersttermin ist Vorbesprechungstermin!
Details
max. 18 participants
Language: German
Lecturers
Classes (iCal) - next class is marked with N
- Friday 02.03. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 09.03. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 16.03. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 23.03. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 30.03. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 20.04. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 27.04. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 04.05. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 11.05. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 18.05. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 25.05. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 01.06. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 08.06. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 15.06. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 22.06. 13:00 - 17:00 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
- Friday 29.06. 13:00 - 17:00 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. 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
Written protocols (minutes) have to be handed in.
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
MaG 8, MaG 14, MaG 30, PD217(teilweise),311(teilweise) (Teil 2 eines 6-stündigen PR), Dok 3.
Last modified: Mo 07.09.2020 15:40