Hands-on Electronic Structure Calculations

Education facts

Code: 1FA583

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 the accuracy of a few meV. This course will cover the 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.

Entry requirements

120 credits in science/engineering. Participation in Density Functional Theory. Proficiency in English equivalent to the Swedish upper secondary course English 6.

Education offerings

Each offering has its own dates and conditions. Closed offerings are retained as history and do not mean that a new application is open.

• Hands-on Electronic Structure Calculations

  Uppsala University

  Start date: 31 August 2026

  End date: 1 November 2026

  Pace of study: 33 %