LEAP uses a domain-specialized LLM and Bayesian optimization to prioritize perovskite additives, achieving average PCEs of 20.13% and 20.87% in later screening rounds versus 19.25% control, with a champion of 21.32%.
Ai-driven inverse design ofmaterials: Past, present, and future.Chinese Physics Letters, 42(2):027403, 2025
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LEAP: A closed-loop framework for perovskite precursor additive discovery
LEAP uses a domain-specialized LLM and Bayesian optimization to prioritize perovskite additives, achieving average PCEs of 20.13% and 20.87% in later screening rounds versus 19.25% control, with a champion of 21.32%.