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Iscience
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January 25, 2021
Reaction prediction via atomistic simulation: from quantum mechanics to machine learning
Pei-Lin Kang, Zhi-Pan Liu
Accounts of Chemical Research
|
September 17, 2020
Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration
Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Journal of the American Chemical Society
|
December 5, 2019
Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling
Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Chemical Science
|
August 3, 2022
Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity
Pei-Lin Kang, Yun-Fei Shi, Cheng Shang, et al.
Journal of the American Chemical Society
|
July 18, 2022
Methanol Synthesis from CO<sub>2</sub>/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search
Yun-Fei Shi, Pei-Lin Kang, Cheng Shang, et al.
Chemical Science
|
January 11, 2019
Atomic structure of boron resolved using machine learning and global sampling
Si-Da Huang, Cheng Shang, Pei-Lin Kang, et al.
Journal of Chemical Theory and Computation
|
October 19, 2023
Global Neural Network Potential with Explicit Many-Body Functions for Improved Descriptions of Complex Potential Energy Surface
Pei-Lin Kang, Zheng-Xin Yang, Cheng Shang, et al.
Journal of Chemical Theory and Computation
|
July 22, 2024
Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction
Zheng-Xin Yang, Xin-Tian Xie, Pei-Lin Kang, et al.
Precision Chemistry
|
December 30, 2024
LASP to the Future of Atomic Simulation: Intelligence and Automation
Xin-Tian Xie, Zheng-Xin Yang, Dongxiao Chen, et al.
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Search research articles
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Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Iscience
|
January 25, 2021
Reaction prediction via atomistic simulation: from quantum mechanics to machine learning
Pei-Lin Kang, Zhi-Pan Liu
Accounts of Chemical Research
|
September 17, 2020
Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration
Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Journal of the American Chemical Society
|
December 5, 2019
Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling
Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Chemical Science
|
August 3, 2022
Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity
Pei-Lin Kang, Yun-Fei Shi, Cheng Shang, et al.
Journal of the American Chemical Society
|
July 18, 2022
Methanol Synthesis from CO<sub>2</sub>/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search
Yun-Fei Shi, Pei-Lin Kang, Cheng Shang, et al.
Chemical Science
|
January 11, 2019
Atomic structure of boron resolved using machine learning and global sampling
Si-Da Huang, Cheng Shang, Pei-Lin Kang, et al.
Journal of Chemical Theory and Computation
|
October 19, 2023
Global Neural Network Potential with Explicit Many-Body Functions for Improved Descriptions of Complex Potential Energy Surface
Pei-Lin Kang, Zheng-Xin Yang, Cheng Shang, et al.
Journal of Chemical Theory and Computation
|
July 22, 2024
Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction
Zheng-Xin Yang, Xin-Tian Xie, Pei-Lin Kang, et al.
Precision Chemistry
|
December 30, 2024
LASP to the Future of Atomic Simulation: Intelligence and Automation
Xin-Tian Xie, Zheng-Xin Yang, Dongxiao Chen, et al.
Page
of 1