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, once the codes have been tested and validated, the work will involve performing simulations of materials for energy storage (batteries, supercapacitors), in collaboration with our partners in Japan (Prof
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: Design, implementation and testing of new methods and algorithms so that SIESTA can harness the compute power of the latest generation of (pre-)exascale architectures and tackle novel scientific challenges
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optimiser that accelerates both workflow efficiency and materials discovery. Main Tasks and responsibilities: Own the optimiser: design, implement, and tune heuristic/metaheuristic algorithms (e.g
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: Design, implementation and testing of new methods and algorithms so that SIESTA can harness the compute power of the latest generation of (pre-)exascale architectures and tackle novel scientific challenges