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. Integration & automation: connect the optimiser to existing simulation pipelines (DFT → TB/Wannier → transport), ensure provenance and reproducibility, and scale runs on Linux/HPC. Benchmarking & ablations: set
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/Project: We are building an optimisation-driven framework that (i) makes AI agents reliably operate advanced scientific software (e.g., DFT, Wannierisation, and quantum-transport codes) and (ii) uses
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areas of nanoscience and nanotechnology. Job Title: Senior Postdoctoral Researcher Research area or group: Theory and Simulation Group Description of Group/Project: The Theory and Simulation Group has
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areas of nanoscience and nanotechnology. Job Title: Postdoctoral Researcher (HANAMI) Research area or group: Theory and Simulation Group Description of Group/Project: The Theory and Simulation Group has