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Artificial Intelligence for advanced functional materials: progress and emerging frontiers
Artificial intelligence (AI) is transforming the way materials are designed, understood, and manufactured. This Perspective examines how recent advances in data-driven modeling, high-performance simulation, and autonomous experimentation are converging to accelerate the discovery of functional materials for next-generation technologies—from energy storage and biomedicine to nanoelectronics and quantum devices. We outline ongoing strategies to embed AI across the materials design workflow—from synthesis and characterization to large-scale simulations enabled by machine learning techniques and approaching ab initio accuracy—and discuss key challenges that remain on the path toward intelligent (bio)materials discovery.