- Scholl, David S. and Steckel, Janice A. (2009). Density Functional Theory: A Practical Introduction, Wiley, 1st ed.
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Course offered as a part of a programme
Course, master’s level
7.5 credits
Malmö | daytime | 50%
1 September 2025 - 9 November 2025
Course code: MT645E
About the course
The objective of the course is for the student to develop an understanding of theories and modelling techniques used to simulate properties of materials and underlying phenomena with the help of quantum mechanics principles.
This course is offered as part of programme:
Course content
The course focuses on density-functional theory and its predictive capabilities and limitations. Specifically:
• Hohenberg-Kohn theorems
• Kohn-Sham equations
• Exchange-correlation functionals
• Electronic structure of solid-state matter and surfaces
• Transition state theory
• Finite temperature phenomena
Entry requirements
- Degree in materials science, machine technology, physics, chemistry or the equivalent. All degrees must be equivalent to at least 180 higher education credits.
- At least 22,5 credits in Mathematics.
- The equivalent of English 6 in Swedish secondary school.
- MT640E Materials Engineering 7,5 credits.
- FY242E Quantum mechanics, 7.5 credits.
Course literature
Course evaluation
The University provides students who are taking or have completed a course with the opportunity to share their experiences of and opinions about the course in the form of a course evaluation that is arranged by the University. The University compiles the course evaluations and notifies the results and any decisions regarding actions brought about by the course evaluations. The results shall be kept available for the students. (HF 1:14).
