260043 PR Laboratory Computational Quantum Mechanics - Part II (2011S)

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.