Pei‐Lin Kang

LASP: Fast global potential energy surface exploration

Sida Huang, Cheng Shang, Pei‐Lin Kang et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2019 · 211 citations

Engineering, Neural Network, Material Simulation +20

Atomic structure of boron resolved using machine learning and global sampling

Sida Huang, Cheng Shang, Pei‐Lin Kang et al. · Chemical Science · 2018 · 130 citations · Full text

Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration

Pei‐Lin Kang, Cheng Shang, Zhi‐Pan Liu · Accounts of Chemical Research · 2020 · 126 citations

Methanol Synthesis from CO₂/CO Mixture on Cu–Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search

Yunfei Shi, Pei‐Lin Kang, Cheng Shang et al. · Journal of the American Chemical Society · 2022 · 107 citations

Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling

Pei‐Lin Kang, Cheng Shang, Zhi‐Pan Liu · Journal of the American Chemical Society · 2019 · 100 citations