以数据驱动为导向，融合人工智能、机器人、自动化、高通量、实验等多学科技术，积极探索（光）催化剂高效开发的新范式：以通讯作者在 Nat. Chem. (2024), Nat.Synth. (2024), Nat. Nanotechnol. (2023), J. Am. Chem. Soc. (2023, 2021)等期刊上发表。
[1] Xiaobo Li*, Yu Che, Linjiang Chen*, Tao Liu, Kewei Wang, Lunjie Liu, Haofan Yang, Edward O Pyzer-Knapp*, Andrew I Cooper*, Sequential Closed-Loop Bayesian Optimization as a Guide for the Organic Molecular Metallophotocatalyst Formulation, Nature Chemistry, 2024, 16, 1286-1294.
[2] Weiwei Zhang, Miaojie Yu, Tao Liu, Muyu Cong, Xueyan Liu, Haofan Yang, Yang Bai, Qiang Zhu, Shuo Zhang, Hongxu Gu, Xiaofeng Wu, Zhiyun Zhang, Yongzhen Wu, He Tian, Xiaobo Li*, Wei-Hong Zhu*, Andrew I. Cooper*, Accelerated discovery of molecular nanojunction photocatalysts for hydrogen evolution: from automated screening to flow synthesis, Nature synthesis, 2024, 3, 595–605.
[3] Yang, Haofan; Li, Chao; Liu, Tao; Fellowes, Thomas; Chong, Samantha Y.; Catalano, Luca; Bahri, Mounib; Zhang, Weiwei; Xu, Yongjie; Liu, Lunjie; Zhao, Wei; Gardner, Adrian M.; Clowes, Rob; Browning, Nigel D.; Xiaobo Li*; Cowan, Alexander J.*; Cooper, Andrew I. *; Packing-induced selectivity switching in molecular nanoparticle photocatalysts for hydrogen and hydrogen peroxide production, Nature Nanotechnology, 2023, 18, 307–315.
[4] Yang, Haofan, Che, Yu, Cooper, Andrew I.*, Chen, Linjiang*, Xiaobo Li*; Machine Learning Accelerated Exploration of Ternary Organic Heterojunction Photocatalysts for Sacrificial Hydrogen Evolution; J. Am. Chem. Soc., 2023, 145, 27038-27044.
[5] Liu, Lunjie; Gao, Mei-Yan; Yang, Haofan; Wang, Xiaoyan; Xiaobo Li*; Cooper, Andrew I.*; Linear conjugated polymers for solar-driven hydrogen peroxide production: the importance of catalyst stability, J. Am. Chem. Soc., 2021, 143: 19287-19293.