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/electrolyte interface for organic (in the case of calcium and magnesium) or aqueous (in the case of zinc) electrolytes using classical molecular dynamics under the effect of an applied field [2] (as it is done
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imposed pressure on the behavior of a polycrystalline material in the context of diffusion welding. In this work, we will combine molecular dynamics and level-set methods to study the motion of GBs and
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multiplicities and for the associated nuclear quantum dynamical simulations. This Ph.D. project is fully funded by the ANR, French National Research Agency and it makes part of an international consortium
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measurements on the LASIRE UMR 8516 platforms. The candidate will also carry out molecular dynamics simulations and program in PYTHON to optimise spectroscopy data processing software. The candidate will work
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project. - Development of NMR pulse-sequences - Development advanced NMR processing schemes - Programming and Simulation - NMR characterization of large protein complexes - Dynamics studies of large protein
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will be modelled by Density Functional Theory (DFT)-based Ab-initio Molecular Dynamics (AIMD) simulations to confidently predict the properties of the aerogel. The candidate will work at the RAPSODEE
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the clay mineral layer to the fault. This Ph.D. project focuses on the modeling of part of the SMEC project. More precisely, we propose to combine molecular simulations, granular modeling and micromechanics