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. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process. - Perform
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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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representative microstructures or using an equivalent homogenized material model. The project therefore combines multi-scale modeling, large deformations, nonlinear viscoelasticity, and transient dynamics
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and conversion. The integrated team is renowned for its research in photovoltaics and photocatalysis, combining fundamental science with applications such as green hydrogen production and biomass
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:this project pioneers a new paradigm of General Genome Interpretation (GenGI) models by combining DNA Large Language Models (DLLMs) with Deep Neural Networks to predict human phenotypes directly from Whole Exome
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Website https://emploi.cnrs.fr/Offres/CDD/UMR5267-DOMCAI-002/Default.aspx Requirements Research FieldLanguage sciencesEducation LevelPhD or equivalent Research FieldLanguage sciencesEducation LevelPhD
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substrate effects using a combination of TB-SMA and Tersoff potentials. Perform atomistic simulations (molecular dynamics and Monte Carlo) to generate diverse and realistic structural configurations
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orogeny. The project will rely on the study of four geological transects to reconstruct subsidence evolution and its driving mechanisms (thermal, tectonic, or combined). Paleotemperatures of the sedimentary
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approaches combining ab initio modeling, Raman vibrational spectroscopy, and machine learning for the study of electrode materials and their interfaces, with a focus on operando monitoring of full battery
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or emerging problems by combining modelling and experiments at the highest level. The laboratory's in-house expertise allows it to draw on a strong foundation of accurate results, cutting-edge numerical