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developing a digital twin, employing machine learning and numerical computations of atomistic processes. At IKZ, a kinetic Monte Carlo tool has been developed in the programming language julia. This allows a
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mandatory core focus, the PhD position allows room for the individual research interests of the applicant to shape specific aspects—whether in modeling strategy, applied machine learning methods
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innovative machine learning architectures for the mining, prediction, and design of enzymes. Combine state-of-the-art ML (e.g., deep learning, generative models) with computational biochemistry tools
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