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.

2022W, VU, 2.0h, 3.0EC, to be held in blocked form
TUWEL

Properties

  • 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

Oral

Additional information

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

Lecturers

Institute

Course dates

DayTimeDateLocationDescription
Mon14:00 - 14:3003.10.2022 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Vorbesprechung
Mon14:00 - 15:3010.10.2022 - 05.12.2022 Videos in TUWELLecture
Mon00:00 - 00:0017.10.2022 - 14.11.2022 Seminarraum. TheoChemInverted classroom. Q&A
Mon14:00 - 15:3012.12.2022 - 23.01.2023 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Simulations of solids - Single appointments
DayDateTimeLocationDescription
Mon03.10.202214:00 - 14:30 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Vorbesprechung
Mon10.10.202214:00 - 15:30 Videos in TUWELLecture
Mon17.10.202200:00 - 00:00 Seminarraum. TheoChemInverted classroom. Q&A
Mon17.10.202214:00 - 15:30 Videos in TUWELLecture
Mon24.10.202214:00 - 15:30 Videos in TUWELLecture
Mon31.10.202200:00 - 00:00 Seminarraum. TheoChemInverted classroom. Q&A
Mon31.10.202214:00 - 15:30 Videos in TUWELLecture
Mon07.11.202214:00 - 15:30 Videos in TUWELLecture
Mon14.11.202200:00 - 00:00 Seminarraum. TheoChemInverted classroom. Q&A
Mon14.11.202214:00 - 15:30 Videos in TUWELLecture
Mon21.11.202214:00 - 15:30 Videos in TUWELLecture
Mon28.11.202214:00 - 15:30 Videos in TUWELLecture
Mon05.12.202214:00 - 15:30 Videos in TUWELLecture
Mon12.12.202214:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon19.12.202214:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon09.01.202314:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon16.01.202314:00 - 15:30 Support via email and https://tuwien.zoom.us/j/7940565071Exercises
Mon23.01.202314:00 - 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

Begin End Deregistration end
01.10.2022 01:00 31.12.2022 01:00

Curricula

Study CodeObligationSemesterPrecon.Info
066 490 Technical Chemistry Mandatory elective
066 646 Computational Science and Engineering Not specified

Literature

No lecture notes are available.

Previous knowledge

Theoretical Chemistry

Preceding courses

Language

if required in English