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to identify and model the most efficient catalytic sites on NDs using advanced Density Functional Theory (DFT) calculations. The project seeks to revolutionize the design of ND-based catalysts by controlling
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, resilience and evolution of marine life to develop solid theories and predictive models of the relationships between marine biodiversity and ecosystem functions, which will in turn lead to improved economic
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, the postdoctoral researcher will be responsible for contributing to the development of advanced methodologies for predicting crystal structures (CSP) based solely on their chemical composition and atomistic modeling
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on these faults: it partly controls the rupture initiation and arrest and thus the rupture extent, but also the amplitude of the ground displacements and accelerations and thus the earthquake magnitude and harmful
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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic