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, including 180 permanent staff (researchers, professors, engineers, technicians, and administrative personnel) and around 180 non-permanent staff (PhD students, postdocs, and fixed-term contracts). Each year
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carried using explicit water molecules relying on molecular dynamics (thermodynamic integration and/or metadynamics). The screening for improved catalysts compared to the state-of-the-art (Pt-Ru) will start
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be done via computer simulations, including Monte Carlo and molecular dynamics, combined with the use of statistical mechanics to predict e.g. phase transitions, nucleation rates, etc. The work will be
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understanding of the mechanisms that support their development in humans is therefore of major therapeutic interest. The aim of the thesis project is to decipher the cellular and molecular mechanisms supporting