Publications by authors named "Kaiwei Wan"

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dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.
Jinzhe Zeng, Xingliang Peng, Yong-Bin Zhuang, Haidi Wang, Fengbo Yuan, Yingze Wang, Wanrun Jiang, Kaiwei Wan, Junjie Wang, Han Wang

J Chem Inf Model· November 2025

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Unravelling the Effects of Anions on the Vicinal H-Bonding Network near an Electrode and Activity of Single-Atom Electrocatalysts.
Kaiwei Wan, Yunxiao Cui, Joseph S Francisco, Xinghua Shi, Xiao Cheng Zeng

J Am Chem Soc· October 2025

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Study of concentration dependent microstructures and dynamic behaviors of aqueous CaCl2 solutions via deep potential with electrostatic interactions.
Yunxiao Cui, Kaiwei Wan, Xinghua Shi

J Chem Phys· August 2025

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Adaptive CVgen: Leveraging reinforcement learning for advanced sampling in protein folding and chemical reactions.
Wenhui Shen, Kaiwei Wan, Dechang Li, Huajian Gao, Xinghua Shi

Proc Natl Acad Sci U S A· November 2024

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Construction of High Accuracy Machine Learning Interatomic Potential for Surface/Interface of Nanomaterials-A Review.
Kaiwei Wan, Jianxin He, Xinghua Shi

Adv Mater· May 2024

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Machine Learning-Accelerated High-Throughput Computational Screening: Unveiling Bimetallic Nanoparticles with Peroxidase-Like Activity.
Kaiwei Wan, Hui Wang, Xinghua Shi

ACS Nano· May 2024

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Steering the Reconstruction of Oxide-Derived Cu by Secondary Metal for Electrosynthesis of -Propanol from CO.
Chang Long, Kaiwei Wan, Yu Chen, Lei Li, Yuheng Jiang

J Am Chem Soc· February 2024

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Regulating reconstruction of oxide-derived Cu for electrochemical CO reduction toward n-propanol.
Chang Long, Xiaolong Liu, Kaiwei Wan, Yuheng Jiang, Pengfei An, Wenyang Wang

Sci Adv· October 2023

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An accurate interatomic potential for the TiAlNb ternary alloy developed by deep neural network learning method.
Jiajun Lu, Jinkai Wang, Kaiwei Wan, Ying Chen, Hao Wang

J Chem Phys· May 2023

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Surface-Mediated Production of Complexed •OH Radicals and FeO Species as a Mechanism for Iron Oxide Peroxidase-Like Nanozymes.
Kaiwei Wan, Bing Jiang, Ting Tan, Hui Wang, Minmin Liang

Small· December 2022

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Polyethylenimine-Poly(lactic--glycolic acid) Nanoparticles Show an Innate Targeting Ability to the Submandibular Salivary Gland via the Muscarinic 3 Receptor.
Junchao Xu, Kaiwei Wan, Hui Wang, Xinghua Shi, Jing Wang

ACS Cent Sci· November 2021

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Bamboo-like π-Nanotubes with Tunable Helicity and Circularly Polarized Luminescence.
Yuan Wang, Kaiwei Wan, Fei Pan, Xuefeng Zhu, Yuqian Jiang, Hui Wang

Angew Chem Int Ed Engl· July 2021

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The role of supported dual-atom on graphitic carbon nitride for selective and efficient COelectrochemical reduction.
Shuang Zhu, Kaiwei Wan, Hui Wang, Ling-Ju Guo, Xinghua Shi

Nanotechnology· July 2021

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Cofactor-free oxidase-mimetic nanomaterials from self-assembled histidine-rich peptides.
Qing Liu, Kaiwei Wan, Yingxu Shang, Zhen-Gang Wang, Yiyang Zhang, Chen Wang, Hui Wang

Nat Mater· March 2021

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Chiral gold nanoparticles enantioselectively rescue memory deficits in a mouse model of Alzheimer's disease.
Ke Hou, Jing Zhao, Hui Wang, Bin Li, Kexin Li, Kaiwei Wan, Dawei Wang, Huayi Wang

Nat Commun· September 2020

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Organoplatinum-Substituted Polyoxometalate Inhibits β-amyloid Aggregation for Alzheimer's Therapy.
Jing Zhao, Kexin Li, Kaiwei Wan, Tiedong Sun, Nannan Zheng, Hui Wang, Wanhai Xu

Angew Chem Int Ed Engl· December 2019

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Recent Advances in Nanozyme Research.
Hui Wang, Kaiwei Wan, Xinghua Shi

Adv Mater· November 2019

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Enzyme Mimic Based on a Self-Assembled Chitosan/DNA Hybrid Exhibits Superior Activity and Tolerance.
Zhen-Gang Wang, Yunzhe Li, Hui Wang, Kaiwei Wan, Qing Liu

Chemistry· September 2019

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A non-conjugated polyethylenimine copolymer-based unorthodox nanoprobe for bioimaging and related mechanism exploration.
Leihou Shao, Kaiwei Wan, Hui Wang, Yankun Cui, Caiyan Zhao, Xuan Wang

Biomater Sci· July 2019

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Enantioseparation of Au (PP ) Cl Clusters with Intrinsically Chiral Cores.
Yanfei Zhu, Hui Wang, Kaiwei Wan, Jun Guo, Chunting He

Angew Chem Int Ed Engl· July 2018

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