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prerequisite (i.e., familiarity with linux, bash, conda, python). Experience in molecular dynamics simulation, protein chemistry or phylogenetics would be major assets. An interest in developing wet lab skills
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”. In: J. Chem. Phys. 158.3 (2023). [5] : Kästner, J. “Umbrella sampling”. Comp. Mol. Sc., (2011), 1(6), p. 932-942. Techniques/methods in use: Molecular dynamics, Ab-Initio Molecular Dynamics
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methodology such as Thermodynamic modelling of multi-component planetary degassing/ingassing, Molecular Dynamic simulations of silicate melts, Petrology of melting of exoplanetary mantles, and the partitioning
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the models developed and identify the main technical obstacles to be overcome for future industrial implementation. 7. Improvement of the internal code for simulating thermodynamic cycles. The existing
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cellular signaling remains a key challenge in biology and is at the heart of the project. The PhD student will be in charge of the molecular modelling aspects of the multi-scale approaches undertaken by
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researchers addressing complementary topics and methodology such as Thermodynamic modelling of multi-component planetary degassing/ingassing, Molecular Dynamic simulations of silicate melts, Petrology
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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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), 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