Congratulations to Marina for receiving the Lecture Award at the 36th Molecular Modelling Workshop 2024!

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Günthert, Marina (l) receives Lecture award from Prof. Petra Imhof (CCC Erlangen) (Photo by Senta Volkenandt)

Marina, doctoral candidate in Project E, gave her talk ” ML prediction of photoluminescence from high-throughput density functional theory ground state properties on the example of Cs2AgxNa1−xBiyIn1−yCl6” at the Molecular Modelling Workshop in Erlangen. Lead-free halide double perovskites have been an emerging material class for various applications in the field of optoelectronics over the last couple of years due to their environmental friendliness and exceptional stability. Enlarging the material class even further by introducing interchangeable ion ratios leads to a demand for high-throughput screening. High-throughput screening can be done experimentally using robotic synthesis and computationally by the automation of density functional theory calculations. For a deeper understanding these approaches are combined in a machine learning approach. For her talk, Marina was honoured with the Lecture Award handed out by Prof. Petra Imhof from CCC Erlangen. Congratulations!