165.144 Simulations of solids
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2021W, VU, 2.0h, 3.0EC, to be held in blocked form


  • Semester hours: 2.0
  • Credits: 3.0
  • Type: VU Lecture and Exercise
  • Format: Hybrid

Learning outcomes

After successful completion of the course, students are able to...

  • understand lattice vibrations in solids
  • describe magnetism and relativistic effects
  • use and operate quantummechanical calculations for solids

Subject of course

Quantum mechanical methods for solids and surfaces Structure optimization, DFT, Phonons and finite temperature, Magnetism and relativistic effects, Quantum mechanical simulations of materials properties and their interpretations Relations between crystal structure and physical/chemical properties

Teaching methods

  • Lecture about foundations of solid state theory, DFT, Magnetism, Lattice vibrations
  • Operate exercises on a PC

Mode of examination


Additional information

! For data protection purposes we can only respond to enquiries sent from an official TU (student) e-mail address !



Course dates

Mon14:00 - 14:3004.10.2021 ZOOM: https://tuwien.zoom.us/j/7940565071 (LIVE)Vorbesprechung
Mon14:00 - 15:3011.10.2021 - 06.12.2021 Videos at "Documents" (LIVE)Lecture
Mon14:00 - 15:3013.12.2021 - 24.01.2022 Support via email and https://tuwien.zoom.us/j/7940565071 (LIVE)Exercises
Simulations of solids - Single appointments
Mon04.10.202114:00 - 14:30 ZOOM: https://tuwien.zoom.us/j/7940565071Vorbesprechung
Mon11.10.202114:00 - 15:30 Videos at "Documents"Lecture
Mon18.10.202114:00 - 15:30 Videos at "Documents"Lecture
Mon25.10.202114:00 - 15:30 Videos at "Documents"Lecture
Mon01.11.202114:00 - 15:30 Videos at "Documents"Lecture
Mon08.11.202114:00 - 15:30 Videos at "Documents"Lecture
Mon15.11.202114:00 - 15:30 Videos at "Documents"Lecture
Mon22.11.202114:00 - 15:30 Videos at "Documents"Lecture
Mon29.11.202114:00 - 15:30 Videos at "Documents"Lecture
Mon06.12.202114:00 - 15:30 Videos at "Documents"Lecture
Mon13.12.202114:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon10.01.202214:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon17.01.202214:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon24.01.202214:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Course is held blocked

Examination modalities

  • Oral exam
  • Answer a questionair related to the practical exercises

Course registration

Not necessary



No lecture notes are available.

Previous knowledge

Theoretical Chemistry

Preceding courses


if required in English