Yuming Su / 苏禹铭
Assistant Researcher
📍 Xiamen, China
🏛️ AI4EC Lab, Tan Kah Kee Innovation Laboratory (IKKEM)
yumingsu@xmu.edu.cn
530
Total Citations
12
h-index
12
i10-index
21
Publications
🎓 Education
Ph.D. in Chemistry
Xiamen University, College of Chemistry and Chemical Engineering
2018 - 2024
B.S. in Chemistry
Shanxi University, College of Chemistry & Chemical Engineering
2014 - 2018
💼 Work Experience
Assistant Researcher
AI4EC Lab, Tan Kah Kee Innovation Laboratory (IKKEM)
2024 - Present
🚀 Research Interests
I am deeply engaged in the following research areas:
- Structure-Activity Relationships (SAR) - Investigating the relationship between molecular structure and biological activity
- Two-Photon Absorption (TPA) - Advanced optical properties and applications in materials science
- Machine Learning Applications in Chemistry - Developing AI-driven approaches for chemical discovery
- Theoretical Calculations - Computational methods for understanding molecular properties
📚 Selected Publications
Shen, Y.; Fang, N.; Liu, X.; Ling, Y.; Su, Y.; Tan, T.; Chen, F.; Lin, H.; Zhao, B.; Wang, J.; Si, D.; Xie, S.; Wang, Y.; Zhou, D.; Zhang, T.; Cao, R.; Wang, C. Observation of Metal-Organic Interphase in Cu-Based Electrochemical CO₂-to-Ethanol Conversion. Nat. Commun. 2025, 16 (1), 2073.
https://doi.org/10.1038/s41467-025-57221-xZhang, M.; Su, Y.; Du, T.; Ding, S.; Dai, J.; Wang, C.; Liu, Y. Revealing Transition State Stabilization in Organocatalytic Ring-Opening Polymerization Using Data Science. Angew. Chem. Int. Ed. 2025, n/a (n/a), e202502090.
https://doi.org/10.1002/anie.202502090Su, Y.; Wang, X.; Ye, Y.; Xie, Y.; Xu, Y.; Jiang, Y.; Wang, C. Automation and Machine Learning Augmented by Large Language Models in a Catalysis Study. Chem. Sci. 2024, 15 (31), 12200-12233.
https://doi.org/10.1039/d3sc07012cDral, P. O.; Ge, F.; Hou, Y. F.; Zheng, P.; Chen, Y.; Barbatti, M.; Isayev, O.; Wang, C.; Xue, B. X.; Pinheiro, M.; Su, Y.; Dai, Y.; Chen, Y.; Zhang, L.; Zhang, S.; Ullah, A.; Zhang, Q.; Ou, Y. MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. J. Chem. Theory Comput. 2024, 20 (3), 1193-1213.
https://doi.org/10.1021/acs.jctc.3c01203Fan, X.; Wang, X.; Ye, Y.; Ye, Y.; Su, Y.; Zhang, Y.; Wang, C. Printing 3D Metallic Structures in Porous Matrix. Small 2024, 20 (31), 2312071.
https://doi.org/10.1002/smll.202312071Du, M.-H.; Dai, Y.; Jiang, L.-P.; Su, Y.-M.; Qi, M.-Q.; Wang, C.; Long, L.-S.; Zheng, L.-S.; Kong, X.-J. Exploration and Insights on Topology Adjustment of Giant Heterometallic Cages Featuring Inorganic Skeletons Assisted by Machine Learning. J. Am. Chem. Soc. 2023, 145 (42), 23188-23195.
https://doi.org/10.1021/jacs.3c07635Zhao, X.; Ju, Y.; Su, Y.; Tang, C.; Zeng, Q.; Feng, L.; Wang, C.; Müllen, K.; Tan, Y. Hexa-Branched Nanographenes with Large Two-Photon Absorption. J. Am. Chem. Soc. 2023, 145 (35), 19333-19337.
https://doi.org/10.1021/jacs.3c05662Su, Y.; Dai, Y.; Zeng, Y.; Wei, C.; Chen, Y.; Ge, F.; Zheng, P.; Zhou, D.; Dral, P. O.; Wang, C. Interpretable Machine Learning of Two-Photon Absorption. Adv. Sci. 2023, 10 (8), 2204902.
https://doi.org/10.1002/advs.202204902For a complete list of publications, please visit my Google Scholar profile.
💻 Software & Tools
I contribute to the development of computational chemistry software:
- MLatom 3 - A platform for machine learning-enhanced computational chemistry simulations and workflows
- Surfacia - Development of AI-driven approaches for chemical property prediction
- TPA calculation - Custom scripts and algorithms for TPA data processing
👯 Collaboration
I'm looking to collaborate on:
• Projects that integrate AI into material science and chemistry
• Research initiatives that aim to develop sustainable technologies
• Machine learning applications in catalysis and materials discovery
Feel free to reach out if you're interested in potential collaborations or have exciting research opportunities!