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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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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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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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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
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underlying these processes remain poorly represented. This PhD project aims to fill that gap by using molecular simulations to quantify the interactions of SOM and EPS with water and minerals, and to connect