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of materials. The position requires extensive knowledge in performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to elucidate complex reaction mechanisms occurring
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to reduce the amount of required training data while maintaining high predictive accuracy. Methods and Techniques : Density Functional Theory, Machine Learning for atomistic modeling Location : Institut Jean
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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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