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atomistic simulations to overcome the limitations of traditional molecular dynamics approaches, which struggle to capture the experimentally relevant size (20–100 nm) and molecular complexity of LNPs. ML
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the Forschungsverbund Berlin (https://www.fv-berlin.de/ ) and the Leibniz Association www.leibniz-gemeinschaft.de . You can find more details on the institute webpage: www.ikz-berlin.de . The Section Fundamental
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different types of simulations at different scales. For the atomic level, you will use atomistic molecular dynamics simulations, which are so expensive computationally that supercomputers are needed
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samples for the study. Further development will be granted by the dialog with advanced atomistic simulations (ab initio and tight-binding) carried out in the laboratory and the lively context offered by
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deformation behaviors. This will be supported by numerical simulations developed by the LEM where nanoindentation simulations at the atomic scale will be performed by Molecular Dynamic (MD) as well as finite
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composition and atomistic modeling of materials. The main activities will include: - formulating new descriptors of critical temperature (Tc) incorporating electronic fluctuation effects, evaluated by
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Number: 30648 Posting Number: S06699P Job Description: Candidate will work on DFT and atomistic simulation study and experimental development of battery cathode materials in close collaboration between
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their targets are simulated at the atomistic level. The most widely-used tool for this are molecular mechanics force fields, such as those developed by the Open Force Field Initiative [https://doi.org
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nonequilibrium conditions at different length and time scales. Complementary, the candidate will be involved in the comparison between experiments and molecular dynamics simulations of the atomistic dynamics
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collaboration with leading experts in chemical synthesis, advanced characterization, and atomistic simulations. Located in the Zurich Area, Empa offers outstanding infrastructure, a broad interdisciplinary