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machine learning potentials and molecular dynamics simulations. Contribute to the implementation of developed tools on the in-house LSQUANT code (www.lsquant.org) and computing architecture of TCN/ICN2
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Tasks and responsibilities: Perform DFT simulations on 2D materials such as transition metal dichalcogenides. Develop machine learning potentials and molecular dynamics simulations. Contribute
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" related to the stability of Halide Perovskite Solar Cells and Machine Learning. The candidate will work with highly efficient and stable PSCs to be analysed following the ISOS protocols recently upgraded
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