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involved in all stages of the project. Initially, part of the work will be dedicated to the molecular modelling of the different parts of the proposed molecules and of the structures as a whole. These
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focus on the molecular mechanisms governing liquid–solid interfacial dynamics. Using molecular dynamics simulations combined with theoretical modeling, the project will investigate how confinement
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of molecular deformation into local strain and ultimately macroscopic actuation. The SIMULACTOR project aims to develop an integrated multiscale approach to model the mechanical behavior of PPAs. Its objective
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meetings to present and discuss the research outcomes. The HYDROUS project aims to advance green hydrogen production through electrocatalysis by developing novel molecular models to elucidate the fundamental
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model for the reactivity/selectivity in superacid conditions. Where to apply Website https://emploi.cnrs.fr/Offres/Doctorant/UMR7285-FREGUE-005/Default.aspx Requirements Research FieldChemistryEducation
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of the catalytic mechanism of oxygen reduction by cytochromes bd, with the E. Coli cytochrom bd-I protein as a first example. This work will require the use of a large panel of molecular modeling tools, from
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structurally and functionally characterizing macromolecular complexes allowing the initiation of translation initiation of translated model messenger RNAs in Neurodegenerative Disease patients. The approaches
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for relevant separations such as CO₂/N₂ or CO₂/H₂. The thermodynamic study may be complemented by adsorption microcalorimetry measurements. Molecular modeling will be used to interpret experimental results
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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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and to characterize interactions with fire regimes. Ultimately, these results will also contribute to a combined paleo-modeling approach at the core of the RETROPEST project (https://anr.fr/Projet-ANR