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Angewandte Chemie (International Ed. in English)
|
April 19, 2024
Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis through Surface Pre-melting of Nanoclusters
Fu-Qiang Gong, Yun-Pei Liu, Ye Wang, et al.
JACS Au
|
September 1, 2021
Modeling Electrified Pt(111)-H<sub>ad</sub>/Water Interfaces from Ab Initio Molecular Dynamics
Jia-Bo Le, Ao Chen, Lang Li, et al.
The Journal of Physical Chemistry Letters
|
April 17, 2026
Universal Interfacial Engineering via Amorphous Inorganic Binders: Passivating Surface States and Accelerating Hole Transfer across Metal Oxide Photoanodes in Photoelectrochemical Water Oxidation
Po-Keng Hsiao, Yen-Lun Kung, Yun-Pei Liu, et al.
Chemical Science
|
October 28, 2024
Entropy in catalyst dynamics under confinement
Qi-Yuan Fan, Yun-Pei Liu, Hao-Xuan Zhu, et al.
National Science Review
|
August 27, 2025
Synergizing a knowledge graph and large language model for relay catalysis pathway recommendation
Fei Fu, Qing-Qing Li, Fangrong Wang, 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.
Journal of Chemical Theory and Computation
|
May 2, 2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Angewandte Chemie (International Ed. in English)
|
April 19, 2024
Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis through Surface Pre-melting of Nanoclusters
Fu-Qiang Gong, Yun-Pei Liu, Ye Wang, et al.
JACS Au
|
September 1, 2021
Modeling Electrified Pt(111)-H<sub>ad</sub>/Water Interfaces from Ab Initio Molecular Dynamics
Jia-Bo Le, Ao Chen, Lang Li, et al.
The Journal of Physical Chemistry Letters
|
April 17, 2026
Universal Interfacial Engineering via Amorphous Inorganic Binders: Passivating Surface States and Accelerating Hole Transfer across Metal Oxide Photoanodes in Photoelectrochemical Water Oxidation
Po-Keng Hsiao, Yen-Lun Kung, Yun-Pei Liu, et al.
Chemical Science
|
October 28, 2024
Entropy in catalyst dynamics under confinement
Qi-Yuan Fan, Yun-Pei Liu, Hao-Xuan Zhu, et al.
National Science Review
|
August 27, 2025
Synergizing a knowledge graph and large language model for relay catalysis pathway recommendation
Fei Fu, Qing-Qing Li, Fangrong Wang, 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.
Journal of Chemical Theory and Computation
|
May 2, 2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng, et al.
Page
of 1