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to model them through computer simulations is highly valued. · Knowledge of classical molecular dynamics, including Machine Learning Interatomic Potentials. · Other research experience will be considered
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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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valued. · Knowledge of chemical reactions and how to model them through computer simulations is highly valued. · Knowledge of classical molecular dynamics, including Machine Learning Interatomic Potentials
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: formulate the design space (categorical + continuous variables), craft domain-aware operators, and couple simulation results back into the search loop. The broader goal is to deliver a reproducible, scalable
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: Integrate uncertainty estimation (ensembles or evidential methods) to prioritise new calculations and improve data efficiency. Integration: Export learned Hamiltonians to downstream simulation tools for band
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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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processes. Performing benchmarks in HPC machines in Japan and carrying optimizations to improve performance of the codes. Execution of simulations in top HPC facilities, both in Europe and Japan. Contribution
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: formulate the design space (categorical + continuous variables), craft domain-aware operators, and couple simulation results back into the search loop. The broader goal is to deliver a reproducible, scalable