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The Journal of Chemical Physics
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October 3, 2024
Band alignment of CoO(100)-water and CoO(111)-water interfaces accelerated by machine learning potentials
Jin-Yuan Hu, Yong-Bin Zhuang, Jun Cheng
The Journal of Chemical Physics
|
November 1, 2022
Resolving the odd-even oscillation of water dissociation at rutile TiO<sub>2</sub>(110)-water interface by machine learning accelerated molecular dynamics
Yong-Bin Zhuang, Rui-Hao Bi, Jun Cheng
The Journal of Chemical Physics
|
September 1, 2023
ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys
Yu-Xin Guo, Yong-Bin Zhuang, Jueli Shi, et al.
Precision Chemistry
|
December 30, 2024
Water-Mediated Proton Hopping Mechanisms at the SnO<sub>2</sub>(110)/H<sub>2</sub>O Interface from Ab Initio Deep Potential Molecular Dynamics
Mei Jia, Yong-Bin Zhuang, Feng Wang, et al.
The Journal of Physical Chemistry Letters
|
September 9, 2021
Recent Progress toward Ab Initio Modeling of Electrocatalysis
Jia-Bo Le, Xiao-Hui Yang, Yong-Bin Zhuang, et al.
Chemical Communications (Cambridge, England)
|
August 7, 2024
Physical adsorption of OH<sup>-</sup> causes anomalous charging at oxide-water interfaces
Yingchun Zhang, Yong-Bin Zhuang, Xiandong Liu, et al.
Journal of the American Chemical Society
|
August 19, 2024
Molecular O<sub>2</sub> Dimers and Lattice Instability in a Perovskite Electrocatalyst
Jan Bosse, Jian Gu, Jaewon Choi, et al.
Chemical Science
|
August 9, 2024
Step-induced double-row pattern of interfacial water on rutile TiO<sub>2</sub>(110) under electrochemical conditions
Yan Sun, Cheng-Rong Wu, Feng Wang, et al.
Scientific Data
|
June 13, 2025
An artificial intelligence accelerated ab initio molecular dynamics dataset for electrochemical interfaces
Yong-Bin Zhuang, Chang Liu, Jia-Xin Zhu, et al.
Journal of Chemical Information and Modeling
|
November 3, 2025
DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science
Fengbo Yuan, Zhaohan Ding, Yun-Pei Liu, et al.
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Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
October 3, 2024
Band alignment of CoO(100)-water and CoO(111)-water interfaces accelerated by machine learning potentials
Jin-Yuan Hu, Yong-Bin Zhuang, Jun Cheng
The Journal of Chemical Physics
|
November 1, 2022
Resolving the odd-even oscillation of water dissociation at rutile TiO<sub>2</sub>(110)-water interface by machine learning accelerated molecular dynamics
Yong-Bin Zhuang, Rui-Hao Bi, Jun Cheng
The Journal of Chemical Physics
|
September 1, 2023
ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys
Yu-Xin Guo, Yong-Bin Zhuang, Jueli Shi, et al.
Precision Chemistry
|
December 30, 2024
Water-Mediated Proton Hopping Mechanisms at the SnO<sub>2</sub>(110)/H<sub>2</sub>O Interface from Ab Initio Deep Potential Molecular Dynamics
Mei Jia, Yong-Bin Zhuang, Feng Wang, et al.
The Journal of Physical Chemistry Letters
|
September 9, 2021
Recent Progress toward Ab Initio Modeling of Electrocatalysis
Jia-Bo Le, Xiao-Hui Yang, Yong-Bin Zhuang, et al.
Chemical Communications (Cambridge, England)
|
August 7, 2024
Physical adsorption of OH<sup>-</sup> causes anomalous charging at oxide-water interfaces
Yingchun Zhang, Yong-Bin Zhuang, Xiandong Liu, et al.
Journal of the American Chemical Society
|
August 19, 2024
Molecular O<sub>2</sub> Dimers and Lattice Instability in a Perovskite Electrocatalyst
Jan Bosse, Jian Gu, Jaewon Choi, et al.
Chemical Science
|
August 9, 2024
Step-induced double-row pattern of interfacial water on rutile TiO<sub>2</sub>(110) under electrochemical conditions
Yan Sun, Cheng-Rong Wu, Feng Wang, et al.
Scientific Data
|
June 13, 2025
An artificial intelligence accelerated ab initio molecular dynamics dataset for electrochemical interfaces
Yong-Bin Zhuang, Chang Liu, Jia-Xin Zhu, et al.
Journal of Chemical Information and Modeling
|
November 3, 2025
DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science
Fengbo Yuan, Zhaohan Ding, Yun-Pei Liu, et al.
Page
of 2