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projects; this can entail working alongside domain experts to extract relevant knowledge, and programming using suitable models to infuse that knowledge with ML methods, thus aiming to optimize performance
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optoelectronics, energy materials, and molecular systems. The student will work on automating key steps in Density Functional Theory (DFT) workflows, such as structural optimization, electronic ground-state
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optimization and enable automated diagnosis of performance-limiting factors and suggest optimization strategies. The project will be part of the DFF Sapere Aude project, and research stays abroad are part of
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