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(MHD) simulations to model the large-scale flow and particle-in-cell (PIC) simulations to study particle kinetics on microscopic plasma scales. In addition, recent detections of electromagnetic flares in
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simulations with the Elmer/Ice model, actively participate in the analysis of multi-model results, and strengthen the visibility of the French contribution within the international effort. 3. Explore extreme
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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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