Pei-Lin Kang (Peilin Kang)

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 7

Top Topics

Machine Learning

Top Venues

Journal of chemical theory and computation

Nature computational science

Chemical science

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Pei-Lin Kang, Enrico Trizio, Michele Parrinello
Computing the committor with the committor to study the transition state ensemble. Nature computational science 4 (6) (2024)
Zheng-Xin Yang, Xin-Tian Xie, Pei-Lin Kang, Zhen-Xiong Wang, Cheng Shang, Zhi-Pan Liu
Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction. Journal of chemical theory and computation (2024)
Pei-Lin Kang, Enrico Trizio, Michele Parrinello
Computing the committor with the committor to study the transition state ensemble. Nature computational science (2024)
Zheng-Xin Yang, Xin-Tian Xie, Pei-Lin Kang, Zhen-Xiong Wang, Cheng Shang, Zhi-Pan Liu
Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction. Journal of chemical theory and computation 20 (15) (2024)
Pei-Lin Kang, Zheng-Xin Yang, Cheng Shang, Zhi-Pan Liu
Global Neural Network Potential with Explicit Many-Body Functions for Improved Descriptions of Complex Potential Energy Surface. Journal of chemical theory and computation (2023)
Pei-Lin Kang, Yun-Fei Shi, Cheng Shang, Zhi-Pan Liu
Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity. Chemical science 13 (27) (2022)
Yun-Fei Shi, Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Methanol Synthesis from CO 2 /CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search. Journal of the American Chemical Society 144 (29) (2022)