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Field
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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing
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-Performance Computing Advanced Know-How in the fields of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional
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Max Planck Institute for Demographic Research (MPIDR) | Rostock, Mecklenburg Vorpommern | Germany | 8 days ago
realistic variations in features such as lighting, crowd density, and signs of disorder. This approach enables rigorous theory testing and helps identify how public safety interventions can reduce anti-social
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organic radicals as novel charge transfer systems for use in fuel cells, electrolysers and batteries. Knowledge of computational modelling of materials/molecules using density functional theory (DFT) based
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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
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, spanning from the investigation of surface plasmons and the design of nano-structured catalyst materials to density functional theory calculations to understand surface reactions and materials on an atomic
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catalyst materials to density functional theory calculations to understand surface reactions and materials on an atomic level. It provides an international and family-friendly environment that highly
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of attoseconds to femtoseconds. The project will involve working with first principles time dependent density function theory (TD-DFT, as implemented in the Elk code) [1-3]. A background including experience in
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metal dichaocogenides (TMDs) model the phononic bands of the host material with e.g. density functional theory (DFT) calculate the effect of a strain field on the electronic bands and the phonon modes
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interdisciplinarity: it combines both, experimental and theoretical expertise, spanning from the investigation of surface plasmons and the design of nano-structured catalyst materials to density functional theory