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JACS Au
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August 30, 2024
Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn-Sham Density Functional Theory
Yizhen Wang, Zihan Lin, Runhai Ouyang, et al.
Chemsuschem
|
December 14, 2011
CO oxidation at the perimeters of an FeO/Pt(111) interface and how water promotes the activity: a first-principles study
Xiang-Kui Gu, Runhai Ouyang, Dapeng Sun, et al.
Materials Horizons
|
July 29, 2025
Decoupling of atomic interactions for accurate thermodynamic prediction in FCC alloys
Jiayi Fan, Jing-Can Liu, Lu Jiang, et al.
Nature Communications
|
March 24, 2021
Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence
Zhong-Kang Han, Debalaya Sarker, Runhai Ouyang, et al.
Science (New York, N.Y.)
|
November 21, 2024
Nature of metal-support interaction for metal catalysts on oxide supports
Tairan Wang, Jianyu Hu, Runhai Ouyang, et al.
ACS Omega
|
June 14, 2021
Prediction and Classification of Formation Energies of Binary Compounds by Machine Learning: An Approach without Crystal Structure Information
Yuanqing Mao, Hongliang Yang, Ye Sheng, et al.
Science Advances
|
February 21, 2019
New tolerance factor to predict the stability of perovskite oxides and halides
Christopher J Bartel, Christopher Sutton, Bryan R Goldsmith, et al.
Journal of the American Chemical Society
|
March 14, 2024
Structure Sensitivity of Metal Catalysts Revealed by Interpretable Machine Learning and First-Principles Calculations
Wu Shu, Jiancong Li, Jin-Xun Liu, et al.
Journal of the American Chemical Society
|
June 3, 2024
Vacancy Ordering in Ultrathin Copper Oxide Films on Cu(111)
Bowen Zhu, Wugen Huang, Haiping Lin, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
June 17, 2024
Rb-Doped Perovskite Oxides: Surface Enrichment and Structural Reconstruction During the Oxygen Evolution Reaction
Huachao Xie, Yuxuan Zhang, Panpan Liu, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 23) with videos related to
Sort By:
Page
of 3
JACS Au
|
August 30, 2024
Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn-Sham Density Functional Theory
Yizhen Wang, Zihan Lin, Runhai Ouyang, et al.
Chemsuschem
|
December 14, 2011
CO oxidation at the perimeters of an FeO/Pt(111) interface and how water promotes the activity: a first-principles study
Xiang-Kui Gu, Runhai Ouyang, Dapeng Sun, et al.
Materials Horizons
|
July 29, 2025
Decoupling of atomic interactions for accurate thermodynamic prediction in FCC alloys
Jiayi Fan, Jing-Can Liu, Lu Jiang, et al.
Nature Communications
|
March 24, 2021
Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence
Zhong-Kang Han, Debalaya Sarker, Runhai Ouyang, et al.
Science (New York, N.Y.)
|
November 21, 2024
Nature of metal-support interaction for metal catalysts on oxide supports
Tairan Wang, Jianyu Hu, Runhai Ouyang, et al.
ACS Omega
|
June 14, 2021
Prediction and Classification of Formation Energies of Binary Compounds by Machine Learning: An Approach without Crystal Structure Information
Yuanqing Mao, Hongliang Yang, Ye Sheng, et al.
Science Advances
|
February 21, 2019
New tolerance factor to predict the stability of perovskite oxides and halides
Christopher J Bartel, Christopher Sutton, Bryan R Goldsmith, et al.
Journal of the American Chemical Society
|
March 14, 2024
Structure Sensitivity of Metal Catalysts Revealed by Interpretable Machine Learning and First-Principles Calculations
Wu Shu, Jiancong Li, Jin-Xun Liu, et al.
Journal of the American Chemical Society
|
June 3, 2024
Vacancy Ordering in Ultrathin Copper Oxide Films on Cu(111)
Bowen Zhu, Wugen Huang, Haiping Lin, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
June 17, 2024
Rb-Doped Perovskite Oxides: Surface Enrichment and Structural Reconstruction During the Oxygen Evolution Reaction
Huachao Xie, Yuxuan Zhang, Panpan Liu, et al.
Page
of 3