‪Pengfei Cai‬ - ‪Google Scholar‬

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Citations	52	52
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2022202320248 31 12

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Co-authors

Li JialiPostdoctoral, Department of Chemical and Biomolecular Engineering, National University of SingaporeVerified email at nus.edu.sg
Xiaonan Wang (王笑楠)Tsinghua University & National University of SingaporeVerified email at nus.edu.sg
Xu Shidang (许适当)South China University of TechnologyVerified email at scut.edu.cn
Bin LiuChemical and Biomolecular Engineering, National University of SingaporeVerified email at nus.edu.sg

Pengfei Cai

Pengfei Cai

Massachusetts Institute of Technology

Verified email at mit.edu

materials discovery machine learning


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Self-improving photosensitizer discovery system via Bayesian search with first-principle simulations S Xu, J Li, P Cai, X Liu, B Liu, X Wang Journal of the American Chemical Society 143 (47), 19769-19777, 2021	26	2021
Machine‐learning‐assisted accurate prediction of molecular optical properties upon aggregation S Xu, X Liu, P Cai, J Li, X Wang, B Liu Advanced Science 9 (2), 2101074, 2022	20	2022
Identification of chemical compositions from “featureless” optical absorption spectra: Machine learning predictions and experimental validations T Chen, J Li, P Cai, Q Yao, Z Ren, Y Zhu, S Khan, J Xie, X Wang Nano Research 16 (3), 4188-4196, 2023	5	2023
Accelerated design of near-infrared-II molecular fluorophores via first-principles understanding and machine learning S Xu, P Cai, J Li, X Zhang, X Liu, X Wang, B Liu	1	2021

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