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effects on the particle and sub-particle level into hierarchical pseudo-2D descriptions of batteries Link continuum descriptions to quantum computing accelerated atomistic approaches in an interdisciplinary
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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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of dissertation topics: Development of Machine Learning Frameworks for Reactive Atomistic Materials Modeling (DSP II) Profile of the graduate This Ph.D. program is an interdisciplinary study combining physical
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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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, are needed. Specific expertise can focus on modelling of e.g., polymer, biomolecular systems, or colloidal systems. We work at both atomistic and coarse-grained modelling levels and appreciate multiscale
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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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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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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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. As a member of the Stenlid lab, you will be exposed to a broad range of computational methodologies, ranging from atomistic and electronic-structure–based materials modeling and characterization, via
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for combining optical/microwave spin manipulation with the atomistic control afforded by chemistry, and therefore realising a versatile platform for entanglement generation and quantum sensing. The role. Through