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