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, implementation, and validation against atomistic simulation data. Where to apply E-mail hadrien.vroylandt@unicaen.fr Requirements Research FieldChemistryEducation LevelPhD or equivalent Research FieldComputer
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this aim, atomistic simulations will be used in combination with state of the art approaches for computing Gibbs free energies, such as thermodynamics integration [4] or umbrella sampling [5]. The atomic
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+ 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable PhD candidate to develop and
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to leverage quantum computing and quantum sensing technologies for the development and optimization of next-generation batteries. Quantum computing bears tremendous potential in the simulation of interactions
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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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) to organize simulation outputs for analysis, benchmarking, and reproducibility. Document workflows and contribute to publications and dissemination activities within the project. Where to apply Website https
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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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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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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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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