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environment featuring a wide range of research activities, including QM/MM simulations, ionic liquid simulations, and excited-state characterization. The aim of this PhD thesis is the atomistic modeling
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-free double perovskites Your Profile: Master`s degree in theoretical or computational physics, chemistry, materials science or similar fields Familiarity with atomistic simulations, high-performance
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High
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atomistic simulations, high-performance computing, and the application of AI-based methods Basic knowledge in photovoltaics and solid-state materials for energy application Ability to work individually and in