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to propose an electronic wave packet that significantly increases the quantum yield of the photo-conversion reaction. - simulation of the quantum dynamics of the photochemical reaction induced
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primarily focus on one or more of these parts. The successful candidate will develop numerical tools and/or theoretical models to model and simulate the behavior of a group of agents capable of chemical
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-Marseille Université (AMU), CNRS and Centrale Marseille (ECM). The LMA employs around 110 people, including 70 permanent staff and some 40 PhD students/post-doctoral researcher. The LMA has nationally and
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‑chemical calculations on organic small molecules and π‑conjugated systems. • Conduct periodic DFT simulations to explore electronic band structures and transport. • Analyse charge transport, thermoelectric