Publications by authors named "Yong-Bin Zhuang"

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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

J Chem Inf Model· November 2025

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DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science.
Fengbo Yuan, Zhaohan Ding, Yun-Pei Liu, Kai Cao, Jiahao Fan, Yong-Bin Zhuang

J Chem Inf Model· November 2025

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Mechanism of First Proton-Coupled Electron Transfer of Water Oxidation at the -Water Interface.
Yong-Bin Zhuang, Alfredo Pasquarello

Angew Chem Int Ed Engl· August 2025

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An artificial intelligence accelerated ab initio molecular dynamics dataset for electrochemical interfaces.
Yong-Bin Zhuang, Chang Liu, Jia-Xin Zhu, Jin-Yuan Hu, Jia-Bo Le

Sci Data· June 2025

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DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials.
Jinzhe Zeng, Duo Zhang, Anyang Peng, Xiangyu Zhang, Sensen He, Yong-Bin Zhuang

J Chem Theory Comput· May 2025

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Water-Mediated Proton Hopping Mechanisms at the SnO(110)/HO Interface from Ab Initio Deep Potential Molecular Dynamics.
Mei Jia, Yong-Bin Zhuang, Feng Wang, Chao Zhang, Jun Cheng

Precis Chem· December 2024

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Band alignment of CoO(100)-water and CoO(111)-water interfaces accelerated by machine learning potentials.
Jin-Yuan Hu, Yong-Bin Zhuang, Jun Cheng

J Chem Phys· October 2024

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Physical adsorption of OH causes anomalous charging at oxide-water interfaces.
Yingchun Zhang, Yong-Bin Zhuang, Xiandong Liu, Jun Cheng, Johannes Lützenkirchen

Chem Commun (Camb)· August 2024

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Step-induced double-row pattern of interfacial water on rutile TiO(110) under electrochemical conditions.
Yan Sun, Cheng-Rong Wu, Feng Wang, Rui-Hao Bi, Yong-Bin Zhuang

Chem Sci· August 2024

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Molecular O Dimers and Lattice Instability in a Perovskite Electrocatalyst.
Jan Bosse, Jian Gu, Jaewon Choi, Vladimir Roddatis, Yong-Bin Zhuang

J Am Chem Soc· August 2024

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ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys.
Yu-Xin Guo, Yong-Bin Zhuang, Jueli Shi, Jun Cheng

J Chem Phys· September 2023

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Resolving the odd-even oscillation of water dissociation at rutile TiO(110)-water interface by machine learning accelerated molecular dynamics.
Yong-Bin Zhuang, Rui-Hao Bi, Jun Cheng

J Chem Phys· October 2022

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Recent Progress toward Ab Initio Modeling of Electrocatalysis.
Jia-Bo Le, Xiao-Hui Yang, Yong-Bin Zhuang, Mei Jia, Jun Cheng

J Phys Chem Lett· September 2021

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