Yan Xiang

Active Learning Guided Discovery of High Entropy Oxides Featuring High H₂-production

Siyang Nie, Yan Xiang, Liang Wu et al. · Journal of the American Chemical Society · 2024 · 42 citations

Natural Sciences, Chemistry, Materials Science +17

Improving molecular machine learning through adaptive subsampling with active learning

Yujing Wen, Zhixiong Li, Yan Xiang et al. · Digital Discovery · 2023 · 23 citations · Full text

Computing, Computer Science, Data Science +8

On the prediction of transport properties of ionic liquid using 1-n-butylmethylpyridinium tetrafluoroborate as an example

Jie Ma, Zhendian Zhang, Yan Xiang et al. · Molecular Simulation · 2017 · 22 citations

Natural Sciences, Chemistry, Physics +17

TuNa-AI: A Hybrid Kernel Machine To Design Tunable Nanoparticles for Drug Delivery

Zilu Zhang, Yan Xiang, Ivan Spasojević et al. · ACS Nano · 2025 · 21 citations · Full text

Pharmacy, Bioengineering, Drug Delivery +16

Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Molecules

Yan Xiang, Yuhang Tang, Hongyi Liu et al. · The Journal of Physical Chemistry A · 2021 · 16 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17