Hengyu Xiao

QuantumCTek (China) — China

Materials Science · Physical Sciences

6h-index304citations10works3.32yr avg
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Research Topics

Machine Learning in Materials Science(5), Catalytic Processes in Materials Science(3), Electrocatalysts for Energy Conversion(2), Innovative Microfluidic and Catalytic Techniques Innovation(2), Advanced Chemical Sensor Technologies(2)

Publications10 total

Infrared spectroscopy–based zero-shot learning for identifying reaction intermediates in unseen systems
Proceedings of the National Academy of Sciences·2025Open Access
Spectra-based clustering of high-entropy alloy catalysts: improved insight over use of atomic structure
Chemical Science·2025· 6 citedOpen Access
Repairing Noise-Contaminated Low-Frequency Vibrational Spectra with an Attention U-Net
Journal of the American Chemical Society·2024· 6 cited
Pose Estimation of Instruments for Automatic Chemical Laboratories Using Multi-Level Template Matching
IEEE Transactions on Automation Science and Engineering·2024· 1 cited
Label-Free Data Mining of Scientific Literature by Unsupervised Syntactic Distance Analysis
The Journal of Physical Chemistry Letters·2023· 11 cited
Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist
Nature Synthesis·2023· 105 cited
Automated and Intelligent Synthesis of Oxygen-Producing Catalysts from Martian Meteorites by Robotic AI-Chemist
2023Open Access
An all-round AI-Chemist with a scientific mind
National Science Review·2022· 153 citedOpen Access
Effect of the Charge State on the Catalytic Activity of a Fullerene-Based Molecular Electrocatalyst: A Theoretical Study
The Journal of Physical Chemistry Letters·2022· 18 cited
AI-chemist for chemistry synthesis, property characterization, and performance testing
Scientia Sinica Chimica·2022· 4 cited

Frequent Co-authors

Jun Jiang(9), Baicheng Zhang(6), Song Wang(6), Xuchun Zhang(5), Weiwei Shang(5), Xinsheng Tang(4), Baochen Chong(4), Junyi Zhou(4), Shuang Cong(4), Donglai Zhou(4), Guilin Ye(4), Yi Luo(4), Wanjun Zhang(3), Huirong Li(3), Luyuan Zhao(3), Fei Zhang(3), Guozhen Zhang(3), Haitao Zhao(3), Qing Zhu(2), Fei Zhang(2)