人工智能革命——重塑化学化工前沿研究与教育的新范式

doi:10.12461/PKU.DXHX202511035

Abstract

Abstract: Artificial intelligence (AI) is rapidly transforming scientific research with unprecedented speed and scale. Chemistry, as a central science bridging fundamental principles and practical applications, is at the core of this transformation. This paper reviews how AI is reshaping frontier research in chemistry and chemical engineering, including intelligent molecular design and autonomous synthesis. It also discusses the role of AI in training undergraduate students in intelligent chemical engineering and examines how AI is driving innovations in chemistry education. Finally, we outline future trends and highlight the challenges that the field may face.

Key words: AI-driven, Chemistry and chemical engineering, Frontier research, Undergraduate education

Tao Hu, Xianfeng Li, Shengyang Tao, Lin Li, Guan-Hong Zhao, Jinwei Zhang, Changgong Meng. Artificial Intelligence Revolution: Reshaping the New Paradigm of Frontier Research and Education in Chemistry and Chemical Engineering[J].University Chemistry, 2025, 40(12): 112-118.

References

[1] Stienstra, C. M. K.; Hebert, L.; Thomas, P.; Haack, A.; Guo, J.; Hopkins, W. S. J. Chem. Inf. Model. 2024, 64 (12), 4613.
[2] MegaMolBART Model Overview. [2025-12-08]. https://docs.nvidia.com/bionemo-framework/1.10/models/megamolbart.html
[3] Bradshaw, J.; Paige, B.; Kusner, M. J.; Segler, M.; Hernández-Lobato, J. M. Advances in Neural Information Processing Systems 2019, 32.
[4] Accelerating the Discovery of Battery Materials with AI. [2025-12-08]. https://www.science.org/content/article/ai-driven-collaboration-rapidly-identifies-new-battery-material
[5] Zhu, Q.; Wang, T.; Li, S.; Wang, Y.; Li, A.; Zhang, S.; Li, D.; Zhang, T.; Jiang, J.; Luo, R.; et al. Nat. Synth. 2024, 3, 246.
[6] 中国科学技术大学科研人员深耕精准智能化学领域, “机器化学家”带来科研新范式. [2025-12-08]. https://paper.people.com.cn/rmrb/html/2023-04/24/nw.D110000renmrb_20230424_1-19.htm
[7] Volk, A. A.; Epps, R. W.; Yonemoto, D. T.; Masters, B. S.; Castellano, F. N.; Reyes, K. G.; Abolhasani, M. Nat. Commun. 2023, 14, 1403.
[8] 我所在2025年石化化工行业数字化转型大会上发布智能化工大模型3.0. [2025-12-08]. http://dicp.cas.cn/xwdt/zhxws/202511/t20251105_8006675.html
[9] Winnig, L. W. MIT Sloan Manag. Rev. 2016, 57, 1.
[10] Jambol, D. D.; Sofoluwe, O. O.; Ukato, A.; Ochulor, O. J. Comput. Sci. IT Res. J. 2024, 5, 1090.
[11] 世界级绿色石化产业集群数字化转型推进大会暨中控石化化工大模型首发仪式在甬成功举办. [2025-12-08]. https://www.supcon.com/news/info/269.html
[12] 中控技术“机理+AI”气化炉RTO, 助力伊泰化工气化炉实时优化项目顺利验收. [2025-12-08]. https://www.supcon.com/news/info/301.html
[13] 我所发布“电池数字大脑PBSRD Digit 2.0”. [2025-12-08]. http://www.dicp.cas.cn/xwdt/ttxw/202501/t20250106_7514080.html
[14] 袁汝明, 张来英, 徐晓明, 吴平平, 傅钢. 大学化学, 2025, 40 (9), 238.
[15] 桑晓光, 王锦霞, 冯钟敏, 郑伟, 张霞. 大学化学, 2026, in press. doi: 10.12461/PKU.DXHX202506026
[16] 王海媛, 靳晓宁, 孙雅静, 张振, 赵温涛, 李轶. 大学化学, 2026, in press. doi: 10.12461/PKU.DXHX202505076
[17] 王月娇, 毛全兴, 崔俊硕, 冯小庚, 常晓红, 娄振宁, 熊英. 大学化学, 2026, 41 (1), 7.
[18] 王金龙, 陈晓宇, 颜攀, 蔺佳慧, 赵妍茜, 毕雪琴, 郭彦炳. 化学教育(中英文), 2025, 46 (16), 110.
[19] “小步快跑”, 上海交大瞄准前沿学科本科稳步扩容. [2025-12-08]. https://www.peopleapp.com/column/30048434222-500006128694
[20] Proudly introducing the first remotely accessible, autonomous chemical laboratory. [2025-12-08]. https://rxn.res.ibm.com/rxn/robo-rxn/welcome
[21] 推动教育创新, 我校智能化学合成平台成果显著. [2025-12-08]. https://digichem.dlut.edu.cn/info/1536/1913.htm
[22] 崔美荣, 谢茉, 晁洁. 大学化学, 2025, 40 (5), 291.
[23] Pearson, H. Nature 2025, 646, 788.

Artificial Intelligence Revolution: Reshaping the New Paradigm of Frontier Research and Education in Chemistry and Chemical Engineering

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