Hands-on Electronic Structure Calculations

Utbildningsfakta

Kod: 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.

Behörighet

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

Utbildningstillfällen

Varje tillfälle har egna datum och villkor. Avslutade tillfällen behålls som historik och innebär inte att en ny ansökan är öppen.

• Hands-on Electronic Structure Calculations

  Uppsala University

  Startdatum: 31 augusti 2026

  Slutdatum: 1 november 2026

  Studietakt: 33 %