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cond-mat.mtrl-sci2026
Generative and multimodal AI for materials prediction and design: Progress, challenges, and perspectives
Xianyuan Liu, Charles Anjah, Benjamin E. Jolly +9
Artificial intelligence (AI) is accelerating materials prediction and design by enabling efficient exploration of chemical and structural spaces, with particular promise for novel…
cond-mat.mtrl-sci2026
Benchmarking bandgap prediction in semiconductors under experimental and realistic evaluation settings
Haolin Wang, Xianyuan Liu, Anna Jungbluth +3
Accurate bandgap prediction is crucial for semiconductor applications, yet machine learning models trained on computational data often struggle to generalize to experimental bandga…