Publication

Artificial Intelligence for Perovskite Additive Engineering: From Molecular Screening to Autonomous Discovery

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Artificial Intelligence for Perovskite Additive Engineering: From Molecular Screening to Autonomous Discovery 论文配图

Xin-De Wang, Zhi-Rui Chen, Wen-Kao Li, Peng-Jie Guo, Cheng Mu#, Ze-Feng Gao#, Zhong-Yi Lu#

Molecules, 31(3): 440, 2026

摘要

In this review, we describe a paradigm shift in additive discovery for perovskite solar cells (PSCs) from trial-and-error methods to AI-driven approaches, covering the physicochemical foundations of additive engineering, machine-learning descriptors, active learning optimization, generative models, and the emerging trend of integrating large language models with autonomous laboratories for closed-loop autonomous discovery.