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 March 31, 2023 by Sameer Gupta. PhD thesis available as a pdf file.
Thesis presented July 22, 2021 by Saumya Badoni.
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.