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using classical molecular dynamics. The work will therefore involve defining a model and then carrying out all-atom simulations to understand and predict the properties of the confined solution. We will
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of new ligands and structure-based optimization • Molecular simulations of transmembrane proteins and their interactions with ligands and functional partners • Analysis of the conformational dynamics
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of the coupling between the spin state and the elastic properties of the material. - Molecular dynamics atomistic simulations of the crystal lattice dynamics. - Writing scientific papers and presentation of results
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molecular simulations to determine the ionic, electronic and thermal transport properties of solid-state electrolytes for Na-ion batteries, both in the bulk materials and at interfaces. The post-doctoral
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molecular clouds from their collapse to the evolution of the solar nebula until the formation of a protoplanetary disk. This evolution is simulated at low pressure (10-9 mbar) and low temperature (12K-77K) by
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NMR spectroscopy, that are compatible with sample motion. This will involve: i/ pulse sequence developments ii/ numerical spin simulations The postdoctoral researcher will in particular: . implement
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students finishing their thesis by the end of 2025 are encouraged to apply. The successful candidate should have a PhD in microbial or molecular ecology including bioinformatics. Excellent written and verbal
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and adhesion networks? (c ) How in turn are microscopic architecture and co-dynamics shaped by deformation and flow? We expect to determine and understand the molecular underpinnings of key physical
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(phonons)/mechanical properties, DFT/MLIP molecular dynamics simulations and exploit the results. - Present the results obtained in regular reports, at conferences and in scientific articles. - installing