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Advanced Materials (Deerfield Beach, Fla.)|December 28, 2018
Recent Advances in Nanozyme ResearchHui Wang, Kaiwei Wan, Xinghua ShiACS Nano|May 2, 2024
Machine Learning-Accelerated High-Throughput Computational Screening: Unveiling Bimetallic Nanoparticles with Peroxidase-Like ActivityKaiwei Wan, Hui Wang, Xinghua ShiThe Journal of Chemical Physics|August 22, 2025
Study of concentration dependent microstructures and dynamic behaviors of aqueous CaCl2 solutions via deep potential with electrostatic interactionsYunxiao Cui, Kaiwei Wan, Xinghua ShiAdvanced Materials (Deerfield Beach, Fla.)|August 28, 2023
Construction of High Accuracy Machine Learning Interatomic Potential for Surface/Interface of Nanomaterials-A ReviewKaiwei Wan, Jianxin He, Xinghua ShiSmall (Weinheim an Der Bergstrasse, Germany)|October 31, 2022
Surface-Mediated Production of Complexed •OH Radicals and FeO Species as a Mechanism for Iron Oxide Peroxidase-Like NanozymesKaiwei Wan, Bing Jiang, Ting Tan, et al.Proceedings of the National Academy of Sciences of the United States of America|October 30, 2024
Adaptive CVgen: Leveraging reinforcement learning for advanced sampling in protein folding and chemical reactionsWenhui Shen, Kaiwei Wan, Dechang Li, et al.Nanotechnology|June 16, 2021
The role of supported dual-atom on graphitic carbon nitride for selective and efficient CO2electrochemical reductionShuang Zhu, Kaiwei Wan, Hui Wang, et al.Journal of the American Chemical Society|October 8, 2025
Unravelling the Effects of Anions on the Vicinal H-Bonding Network near an Electrode and Activity of Single-Atom ElectrocatalystsKaiwei Wan, Yunxiao Cui, Joseph S Francisco, et al.The Journal of Chemical Physics|May 22, 2023
An accurate interatomic potential for the TiAlNb ternary alloy developed by deep neural network learning methodJiajun Lu, Jinkai Wang, Kaiwei Wan, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 18, 2019
Enzyme Mimic Based on a Self-Assembled Chitosan/DNA Hybrid Exhibits Superior Activity and ToleranceZhen-Gang Wang, Yunzhe Li, Hui Wang, et al.Pageof 3