CIMPA SCHOOL ON FUNDAMENTALS of DENSITY FUNCTIONAL THEORY

 Technical University of Kenya, Nairobi
June 28 - July 9 2027

Why a school on the fundamentals of DFT?

Density Functional Theory (DFT) is a very popular computational approach to deal with the quantum-mechanical many-body problem, with applications ranging from quantum chemistry to materials science, geology, astrophysics, biophysics, etc. Therefore, DFT is a crucial component in the training of master and PhD students.  Simulations  based on DFT are applied to materials of relevance for a variety of applications, from the conversion and storage of energy, through environmental remediation (e.g. water treatment), to catalysis and biochemistry. This research is therefore directly linked to pressing needs across the African continent, like those of securing sustainable sources of energy, clean water and food, an efficient exploitation of natural resources, and the development of drugs against diseases, many of which are endemic to the continent.
A large part of the popularity of DFT is due to computer codes that are freely available for materials properties simulations. However, DFT practitioners often ignore the fundamentals of the theory, which hinders its appropriate utilisation or even leads to its misuse. With the organisation of this focused school addressing specifically the fundamental theory aspects of DFT we aim to fill this gap.
The focus of the CIMPA school will therefore be on fundamental concepts, such as the many-body problem, density functionals, the Kohn-Sham auxiliary systems, and strategies of approximations that find broad applications also in other fields; the emphasis will be on the fundamental theory aspects, rather than the use of specific computer codes.
 

 The registration will be open soon. Stay tuned!