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performing DFT/MLIP molecular dynamics simulations; - Analyzing and exploiting results, as well as writing activity reports and scientific publications and presenting results at conferences and working groups
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to compute the predicted ZTs via first principles calculations. - Computer simulations: ML + DFT - Scripting (Python) - Analysis of the results + writing publications - The position is part of an ANR-DFG
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) at multiple microwave frequencies. This work will be complemented by the systematic quantitative analysis of experimental data through spectral simulation, in combination with the use of various substrates
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