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