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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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control of scientific codes (prompting, tool-use policies, error recovery); measure speed, accuracy, robustness, and cost vs. baselines. Materials design optimisation: define physics-informed fitness
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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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