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260015 LP Lab-Course: Computational Quantum Mechanics (2019W)

7.00 ECTS (4.00 SWS), SPL 26 - Physik
Continuous assessment of course work

Registration/Deregistration

Details

max. 10 participants
Language: English

Lecturers

Classes (iCal) - next class is marked with N

Monday 07.10. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG (Kickoff Class)
Monday 14.10. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 21.10. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 28.10. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 04.11. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 11.11. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 18.11. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 25.11. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 02.12. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 09.12. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 16.12. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 13.01. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG
Monday 20.01. 13:00 - 16:45 Seminarraum Physik Sensengasse 8 EG

Information

Aims, contents and method of the course

Simulations of quantum-mechanical many-electron systems, with special focus on solid state physics and materials science.
The course is structured in hands-on sessions, preceded by theoretical introductions to the physical properties and the computational techniques.
Simulations are performed in the density-functional theory framework, by using the Vienna ab initio package (VASP).
Fundamental physical properties, such as the electronic band structure, effective forces among ions, vibrational frequencies, mechanical properties, thermodynamic properties, as well as magnetic properties are discussed and calculated.
Students may also write programs in selected areas of computational science (Monte Carlo, molecular dynamics, Schrödinger equation solvers).

Pre-requirements:
A laptop with WiFi connection is highly recommended.
Preliminary knowledge of Quantum Mechanics and Solid State Physics, and familiarity with Linux-shell scripting are beneficial but not required.

Assessment and permitted materials

Based on the handed.

Minimum requirements and assessment criteria

Familiarity with quantum-mechanical simulation programs, such as VASP, in the application to complex problems in materials science. Linux-shell basic-level scripting, and capability to use graphical tools for the visualization of computed data. Team working skill.

Examination topics

Computer oriented, weekly assignments. Physical properties and processes in solids and materials science are simulated. The complexity of the examples increases gradually.

Reading list


Association in the course directory

WLP 2, PIII 10, UF MA PHYS 01a, UF MA PHYS 01b

Last modified: Mo 07.09.2020 15:21