Density Functional Theory

Education facts

Code: 1FA659

In order to predict and understand the properties of materials in both qualitative and quantitative ways, one needs to have theories those can describe materials specific properties without any fitting parameters. Density functional theory (DFT) is such a first principles or ab initio theory. This course is aimed at both students within physics as well as chemistry to provide the basic ideas of DFT. The course will discuss the concepts behind density functional theory based on the book _A Chemist's Guide to Density Functional Theory_. The standard approximations used to calculate the properties of the material will be discussed along with their success and failures.

Entry requirements

120 credits in science/engineering. Participation in Introduction to Materials Science and Chemical Binding in Molecules and Materials. 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.

• Density Functional Theory

  Uppsala University

  Uppsala

  Start date: 22 March 2027

  End date: 6 June 2027

  Pace of study: 33 %