HPC Calcul parallèle Numerical simulations DFT Numerical simulation Electronic structure Magnetohydrodynamics MHD Large-Eddy Simulation Convection Science ouverte Catalysis Galaxies formation CFD Numerical modelling Instabilities Inverse theory Adsorption Hydrogen MPI Molecular dynamics Methods numerical COVID-19 Direct Numerical Simulation Radiative transfer Copper Large-scale structure of Universe Galaxies high-redshift Diffusion Computational seismology Protoplanetary disks Dynamo theories and simulations Machine learning Dynamo Supernovae general Spectroscopy Climate change Machine Learning Palladium Quantum chemistry France Parallel computing Galaxies evolution Optimization Hydrodynamics Density Functional Theory Simulation numérique Deep learning Dynamique moléculaire Open access Calcul haute performance LES Molecular dynamics simulations Molecular Dynamics Données de la recherche Modeling Accretion disks Data assimilation Combustion Large eddy simulation Ab initio Modelling Astrophysics - Astrophysics of Galaxies Wave propagation Accretion Turbulence Two-phase flow Modélisation Luminescence Ab initio calculations Density functional theory Cosmology theory Cancer Astrochemistry Graphene Direct numerical simulation RANS Computer vision Reionization Segmentation Large-eddy simulation Ligands Stars formation Neural networks Open science Simulations High performance computing Galaxies interactions DFT calculations Large Eddy Simulation Self-supervised learning Simulation DNS MHD Apprentissage profond Nanoparticles Deep Learning Aeroacoustics Heat transfer 3D Density functional calculations