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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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) molecular modeling would be an asset but is not required. The PhD candidate will join the Condensed Matter and Electroactive Systems team, specifically the group led by Cyril Poriel. The PhD will be
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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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the PhD). At Sorbonne University, the student will join IMPMC-UMR 7590 (https://impmc.sorbonne-universite.fr/en ). At the University of Melbourne, the student will join the Bio21 Molecular Science
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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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], which involves four research units across France. The work will be carried out at the ICGM within the Balard building (CNRS campus) in Montpellier. The PhD candidate will be integrated into a dynamic and
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during sintering (temperature and current fields, resulting stresses, etc.). These fields will then be used as input conditions for Molecular Dynamics simulations in order to observe in situ atomic‑scale
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optics, photonics, lasers, and atomic and molecular physics. The laboratory conducts both fundamental research and applied work (telecommunications, healthcare, sensors). It is equipped with advanced
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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