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. Using all-atom molecular dynamics simulations and enhanced sampling techniques, the project will investigate how S-glutathionylation modulates nucleosome structure and dynamics, alone and in combination
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experience in machine learning and molecular simulation ? We're looking for our future PhD student ! Join us at Université Côte d'Azur, recognized since 2016 for its scientific and educational excellence
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compositions of these materials with potential adsorption properties for simulants of toxic agents or catalytic properties of interest for degradation action, a molecular modeling approach based on density
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detection by mass spectrometry, by combining molecular dynamics simulations and experiments (Figure 1).1-5 The present PhD thesis will investigate the effects of additional specific ions in fluid samples
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://www.mbnresearch.com ) is internationally recognised as a leading expert in the multiscale theory and simulations of molecular and condensed matter systems exposed to radiation, the development of advanced computational
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://www.mbnresearch.com ) is internationally recognised as a leading expert in the multiscale theory and simulations of molecular and condensed matter systems exposed to radiation, the development of advanced computational
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descriptors, molecular simulations, and machine learning, this PhD project seeks to predict ion-exchange isotherm parameters directly from molecular properties. These predictions will be integrated
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measure their mechanical, adhesive and frictional properties. By combining these data with classical molecular dynamics simulations and a molecular-scale approach to the thermodynamics of molecular
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of configurations generated in silico as well as their thermodynamic, dynamic (phonon), and mechanical properties, and performing DFT/MLIP NpT and NVT molecular dynamics simulations. - Analyzing and exploiting
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a closely related field 2. Required: Publications in atomic/molecular physics 3. Required: Experience in molecular physics theory and calculations 4. Required: Programming skills and experience in