A project at the interface between quantum chemistry and molecular dynamics for the study of complex molecular assemblies, led by Michel Masella (Joliot) and Luigi Genovese (our laboratory), makes it possible, for applications in biology/health, to take full advantage of the new supercomputers of the Public Procurement of Innovations for High-Performance Computing (PPI4HPC, H2020) project hosted at the Très Grand Centre de Calcul (TGCC) of the CEA-Bruyères-le-Châtel.
Thesis presented December 15, 2016 by Maxime Morinière. 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.