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: Define and track metrics (MAE on Hamiltonian elements, band-structure error, DOS overlap, transport-relevant figures); compare against classical parameterisations. Uncertainty and active learning
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: Management of experimental campaigns, from the design of the assemblies and the selection of measurement techniques to data acquisition, the performance of calibrations and uncertainty analysis. In
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: Define and track metrics (MAE on Hamiltonian elements, band-structure error, DOS overlap, transport-relevant figures); compare against classical parameterisations. Uncertainty and active learning
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Development of robust design methods Uncertainty quantification and management in structural design Processing optimisation and thermal analysis of polymers Non-destructive testing Experimental characterisation
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functions and constraints; run multi-objective searches over 2D/vdW candidates (e.g., stacking, composition, twist, strain) targeting relevant figures of merit; incorporate uncertainty and robustness