The MIKA-project develops computational methods for real-time, real-space electronic structure calculations. These methods can be used for materials specific atomistic simulations in physics, chemistry and nanoscience.

The methods are based on the density functional theory which is one of the most succesful frameworks for electronic structure calculations. We use a real-space description for the physical quantities which allows flexible boundary conditions, provides systematic convergence properties and efficient parallel implementation.

The software development is done in collaboration between CSC, three Finnish universities, and Technical University of Denmark.