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systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element
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of oxygen into water, with the use of molecular dynamics simulations in a QM/MM framework. This PhD project is part of the ANR project UTAH, in close collaboration with a research team at Strasbourg
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at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
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of real-world exposome scenarios. The doctoral candidate will quantify the kinetics of homo- and heteroaggregation, as well as sedimentation dynamics in biological fluids, using dynamic light scattering
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physical parameters, namely the anisotropies and the diffusion coefficients, will be obtained from molecular dynamics calculations in collaboration with Science et Ingénierie, Matériaux, Procédés (SIMAP
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environment at the CNRS Coordination Chemistry Laboratory in Toulouse, France, as part of the “Molecular Design of Transition Metal Catalysts” group. This PhD position is funded by the ANR through the project
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of genome dynamics, epigenetic regulation, RNA biology, and molecular pathologies, with a strong commitment to translating these advances into clinical applications. The doctoral student will be hosted within