Cheng Shang

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Topics

Machine Learning

Gold Nanoparticles

Highly Efficient

Top Venues

Chemical science

Journal of the American Chemical Society

Journal of chemical theory and computation

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Sicong Ma, Yanwei Cao, Yun-Fei Shi, Cheng Shang, Lin He, Zhi-Pan Liu
Data-driven discovery of active phosphine ligand space for cross-coupling reactions. Chemical science 15 (33) (2024)
Yao Peng, Xia-Lan Si, Cheng Shang, Zhi-Pan Liu
Abundance of Low-Energy Oxygen Vacancy Pairs Dictates the Catalytic Performance of Cerium-Stabilized Zirconia. Journal of the American Chemical Society (2024)
Zheng-Xin Yang, Xin-Tian Xie, Pei-Lin Kang, Zhen-Xiong Wang, Cheng Shang, Zhi-Pan Liu
Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction. Journal of chemical theory and computation (2024)
Sicong Ma, Yanwei Cao, Yun-Fei Shi, Cheng Shang, Lin He, Zhi-Pan Liu
Data-driven discovery of active phosphine ligand space for cross-coupling reactions. Chemical science 15 (33) (2024)
Yao Peng, Xia-Lan Si, Cheng Shang, Zhi-Pan Liu
Abundance of Low-Energy Oxygen Vacancy Pairs Dictates the Catalytic Performance of Cerium-Stabilized Zirconia. Journal of the American Chemical Society 146 (15) (2024)
Zheng-Xin Yang, Xin-Tian Xie, Pei-Lin Kang, Zhen-Xiong Wang, Cheng Shang, Zhi-Pan Liu
Many-Body Function Corrected Neural Network with Atomic Attention (MBNN-att) for Molecular Property Prediction. Journal of chemical theory and computation 20 (15) (2024)
Minchao Liu, Cheng Shang, Tiancong Zhao, Hongyue Yu, Yufang Kou, Zirui Lv, Mengmeng Hou, Fan Zhang, Qiaowei Li, Dongyuan Zhao, Xiaomin Li
Site-specific anisotropic assembly of amorphous mesoporous subunits on crystalline metal-organic framework. Nature communications 14 (1) (2023)
Pei-Lin Kang, Zheng-Xin Yang, Cheng Shang, Zhi-Pan Liu
Global Neural Network Potential with Explicit Many-Body Functions for Improved Descriptions of Complex Potential Energy Surface. Journal of chemical theory and computation (2023)
Minchao Liu, Cheng Shang, Tiancong Zhao, Hongyue Yu, Yufang Kou, Zirui Lv, Mengmeng Hou, Fan Zhang, Qiaowei Li, Dongyuan Zhao, Xiaomin Li
Site-specific anisotropic assembly of amorphous mesoporous subunits on crystalline metal-organic framework. Nature communications 14 (1) (2023)
Qian-Yu Liu, Dongxiao Chen, Cheng Shang, Zhi-Pan Liu
An optimal Fe-C coordination ensemble for hydrocarbon chain growth: a full Fischer-Tropsch synthesis mechanism from machine learning. Chemical science 14 (35) (2023)
Feng Li, Xiaobin Cheng, Gongxun Lu, Yi-Chen Yin, Ye-Chao Wu, Ruijun Pan, Jin-Da Luo, Fanyang Huang, Li-Zhe Feng, Lei-Lei Lu, Tao Ma, Lirong Zheng, Shuhong Jiao, Ruiguo Cao, Zhi-Pan Liu, Hongmin Zhou, Xin-Yong Tao, Cheng Shang, Hong-Bin Yao
Amorphous Chloride Solid Electrolytes with High Li-Ion Conductivity for Stable Cycling of All-Solid-State High-Nickel Cathodes. Journal of the American Chemical Society (2023)
Feng Li, Xiaobin Cheng, Lei-Lei Lu, Yi-Chen Yin, Jin-Da Luo, Gongxun Lu, Yu-Feng Meng, Hongsheng Mo, Te Tian, Jing-Tian Yang, Wen Wen, Zhi-Pan Liu, Guo-Zhen Zhang, Cheng Shang, Hong-Bin Yao
Stable All-Solid-State Lithium Metal Batteries Enabled by Machine Learning Simulation Designed Halide Electrolytes. Nano letters 22 (6) (2022)
Qian-Yu Liu, Cheng Shang, Zhi-Pan Liu
In Situ Active Site for Fe-Catalyzed Fischer-Tropsch Synthesis: Recent Progress and Future Challenges. The journal of physical chemistry letters 13 (15) (2022)
Pei-Lin Kang, Yun-Fei Shi, Cheng Shang, Zhi-Pan Liu
Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity. Chemical science 13 (27) (2022)
Yun-Fei Shi, Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Methanol Synthesis from CO 2 /CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search. Journal of the American Chemical Society 144 (29) (2022)
Xiao-Tian Li, Lin Chen, Cheng Shang, Zhi-Pan Liu
In Situ Surface Structures of PdAg Catalyst and Their Influence on Acetylene Semihydrogenation Revealed by Machine Learning and Experiment. Journal of the American Chemical Society 143 (16) (2021)
Yao Peng, Cheng Shang, Zhi-Pan Liu
The dome of gold nanolized for catalysis. Chemical science 12 (15) (2021)
Qian-Yu Liu, Cheng Shang, Zhi-Pan Liu
In Situ Active Site for CO Activation in Fe-Catalyzed Fischer-Tropsch Synthesis from Machine Learning. Journal of the American Chemical Society 143 (29) (2021)
Qiuxian Chen, Wenwen Xin, Qiaozhen Ji, Ting Hu, Jun Zhang, Cheng Shang, Zhi-Pan Liu, Xueyang Liu, Hongyu Chen
Ultrasonic Bending of Silver Nanowires. ACS nano 14 (11) (2020)
Sicong Ma, Cheng Shang, Chuan-Ming Wang, Zhi-Pan Liu
Thermodynamic rules for zeolite formation from machine learning based global optimization. Chemical science 11 (37) (2020)
Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration. Accounts of chemical research 53 (10) (2020)
Si-Da Huang, Cheng Shang, Zhi-Pan Liu
Ultrasmall Au clusters supported on pristine and defected CeO2: Structure and stability. The Journal of chemical physics 151 (17) (2019)
Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu
Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling. Journal of the American Chemical Society 141 (51) (2019)
Si-Da Huang, Cheng Shang, Pei-Lin Kang, Zhi-Pan Liu
Atomic structure of boron resolved using machine learning and global sampling. Chemical science 9 (46) (2018)
Cheng Shang, Si-Da Huang, Zhi-Pan Liu
Massively parallelization strategy for material simulation using high-dimensional neural network potential. Journal of computational chemistry 40 (10) (2018)
Xiao-Jie Zhang, Cheng Shang, Zhi-Pan Liu
Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu. The Journal of chemical physics 147 (15) (2018)
Si-Da Huang, Cheng Shang, Xiao-Jie Zhang, Zhi-Pan Liu
Material discovery by combining stochastic surface walking global optimization with a neural network. Chemical science 8 (9) (2017)