Electronic structure calculations based on the Density Functional Theory are widely applied to materials and molecules. Nevertheless, there are limited to systems with few hundred of atoms because the operation scaling is cubic versus the number of atoms.
Thesis presented July 22, 2021 by Saumya Badoni.
Thesis presented September 16, 2016 by Shashank Mathur. PhD thesis available as a pdf file.
CEA is a French government-funded technological research organisation in four main areas: low-carbon energies, defense and security, information technologies and health technologies. A prominent player in the European Research Area, it is involved in setting up collaborative projects with many partners around the world.