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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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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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. Through molecular engineering of these hosts, PhOLEDs performance have been significantly increase, with external quantum efficiencies now exceeding 35%. Our group, based at the Institut des Sciences
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Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi M, Jonic S, Rouiller I
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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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], 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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spectroscopy, optical ranging, and neuromorphic computing, yet their intrinsically multidimensional nonlinear dynamics introduce a level of complexity that remains unresolved. Where to apply Website https
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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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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