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from E. coli using molecular simulations to understand electron transfer between the second heme b and heme d [4]. To this end, we performed molecular dynamics simulations of the protein within a
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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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project, as well as analysing the results to quantify the sources of changes in various dynamic phenomena. An observation simulator (e.g. lidar) will be set up to study the detectability of very weak
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-heterocyclic carbenes (NHCs) revolutionized the fields of organometallic and organic catalysis. Now, it is non-NHC carbenes that are opening exciting new avenues. , These species, true "molecular Swiss Army
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9 Mar 2026 Job Information Organisation/Company CNRS Department Complexe de recherche interprofessionnel en aérothermochimie Research Field Engineering Chemistry Physics Researcher Profile First Stage Researcher (R1) Application Deadline 30 Mar 2026 - 23:59 (UTC) Country France Type of...
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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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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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plausible deployment pathways. Numerical simulations will first be conducted in isolation, focusing on OAE alone, and will then be extended (in collaboration with other PhD students and postdocs) to combined
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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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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