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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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performance and portability through an informed implementation of parallel programming models and abstraction layers. - You will develop benchmarks and metrics to assess the performance, scalability, and
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exciton transport to the reaction center or to a donor-acceptor interface, respectively. Characterizing, modeling and improving exciton transport properties in molecular materials remain essential tasks in
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), and advanced high-pressure techniques. Experience with vacuum systems, lasers, spectroscopy, or numerical modeling (e.g., plasma or molecular simulations) will be considered an asset. The candidate will
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software and models will be developed for data processing and analysis. Finally, the instrument capabilities will be evaluated using protocols and reference samples previously developed for this purpose in