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

    Location: Uppsala

    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.

More information


Department of Physics and Astronomy

Ångströmlaboratoriet, Lägerhyddsvägen 1

Box 516, 751 20 UPPSALA

Study counsellor

Email: studievagledare@physics.uu.se

Telephone: +46 18 471 35 21