138.058 Computational Materials Science
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2020W, VU, 4.0h, 6.0EC

Properties

  • Semester hours: 4.0
  • Credits: 6.0
  • Type: VU Lecture and Exercise
  • Format: Hybrid

Learning outcomes

After successful completion of the course, students are able to comprehend the materials presented in the lecture and to draw conclusions from them, as well as to actively communicate the contents presented during the lecture.

Subject of course

1) Electronic structure with density functional theory

2) Wannier functions and construction of lattice models

3) Introduction to many-body methods, Fock space, exact diagonalization

4) Kondo effect and impurity physics

5) Disorder and coherent potential approximation

Teaching methods

Lecture with integrated exercises

 

We currently plan the lecture as recoreded videos and the exercises in the EDV Prakikum Physik computer room. Depending on the further Covid-19 pandemie and measures of the government or TU Wien, the latter might change to online. Please register as the number of seats in EDV Prakt Phys is quite limited due to COVID.

Mode of examination

Immanent

Additional information

Presentation of all IFP lectures: Mo, 5. Oct 2020, 12:00-13:00, via GoToMeeting:


https://global.gotomeeting.com/join/863333797

You can also dial in using your phone.
(For supported devices, tap a one-touch number below to join instantly.)

Austria: +43 7 2081 5337
- One-touch: tel:+43720815337,,863333797#

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The first question hour (organizational stuff + 1st lecture) will take place on Monday October 5 at 15:30 with the above link.


The first lecture is available at https://tube1.it.tuwien.ac.at/video-channels/cms/videos

 

 Computer exercises:

 

22.10.  14:00

05.11.  14:00

26.11.  14:00

17.12.  14:00

14.01.  14:00

 

 

Lecturers

Institute

Course dates

DayTimeDateLocationDescription
Thu14:00 - 18:0008.10.2020 - 28.01.2021EDV Praktikum Physik Computer Exercise CMS
Computational Materials Science - Single appointments
DayDateTimeLocationDescription
Thu08.10.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu15.10.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu22.10.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu29.10.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu05.11.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu12.11.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu19.11.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu26.11.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu03.12.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu10.12.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu17.12.202014:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu07.01.202114:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu14.01.202114:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu21.01.202114:00 - 18:00EDV Praktikum Physik Computer Exercise CMS
Thu28.01.202114:00 - 18:00EDV Praktikum Physik Computer Exercise CMS

Examination modalities

Certificate

Course registration

Begin End Deregistration end
21.09.2020 19:00 12.10.2020 19:00

Curricula

Literature

Lecture notes and exercises will be made available via TISS.

Recommended further reading:

https://www.cond-mat.de/events/correl11/manuscripts/kunes.pdf    (Lecture notes to Wannier functions)

https://arxiv.org/pdf/cond-mat/0211443.pdf  (Lecture notes to density functional theory and band structure methods)

Previous knowledge

Quantum mechanics (Schrodinger equation, Pauli principle) and linear aglebra (Hermitean and unitary operators, eigenvalues and eigenvectors)

Basics of solid state theory (Bloch theorem, reciprocal space, Fermi energy and Fermi surface)

Language

English