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260043 PR Laboratory Computational Quantum Mechanics - Part II (2010S)
Continuous assessment of course work
Labels
n.Ü., vorzugsweise Freitag 13:00-17:00Vorbesprechung: 05.03.2010, 13:00, Kurt-Gödel-Hörsaal, Strudlhofgasse 4, EG, 1090 Wien.
Details
max. 18 participants
Language: German
Lecturers
Classes
Currently no class schedule is known.
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
PD217(teilweise),311(teilweise) (Teil 2 eines 6-stündigen PR)
Last modified: Fr 31.08.2018 08:55