Hands-on Electronic Structure Calculations, 5 credits
Academic year 2022/2023
Autumn 2022, 33%, Campus
Start date: 29 August 2022
End date: 30 October 2022
Application deadline: 19 April 2022
Application code: UU-13039 Application
Language of instruction: English
Selection: Higher education credits in science and engineering (maximum 240 credits)
Registration: 28 July 2022 – 28 August 2022
Entry requirements: 120 credits with Density Functional Theory (DFT) I. Proficiency in English equivalent to the Swedish upper secondary course English 6.
If you are not a citizen of a European Union (EU) or European Economic Area (EEA) country, or Switzerland, you are required to pay application or tuition fees. Formal exchange students will be exempted from tuition fees, as well as the application fee. Read more about fees.
Application fee: SEK 900
Tuition fee, first semester: SEK 12,083
Tuition fee, total: SEK 12,083
About the course
To calculate materials specific properties, one needs to solve Kohn-Sham equations in DFT numerically with a handful of different types of basis sets depending on the problem to be solved. With the advent of powerful computers and the development of state-of-the- art electronic structure codes, it is nowadays possible to predict properties even within an accuracy of few meVs.
This course will cover basics of different electronic structure methods based on DFT. Sophisticated codes employed nowadays for the calculations of materials-specific properties in physics, chemistry and biology will be demonstrated in the hands-on-session. You will have a very good practical knowledge of quantum mechanical computations of materials properties, which can be directly compared with experiments.
Department of Physics and Astronomy
Ångströmlaboratoriet, Lägerhyddsvägen 1
Box 516, 751 20 UPPSALA
Telephone: +46 18 471 35 21