Perspective on Computational Reaction Prediction using Machine Learning Methods in Heterogeneous Catalysis

2021 ◽  
Author(s):  
Jiayan Xu ◽  
Xiaoming Cao ◽  
Peijun Hu
Keyword(s):  
Machine Learning ◽  
Heterogeneous Catalysis ◽  
Significant Role ◽  
Chemical Industry ◽  
Rational Design ◽  
Learning Methods ◽  
Reaction Prediction ◽  
Machine Learning Methods ◽  
Essential Aspect ◽  
Modern Chemical

Heterogeneous catalysis plays a significant role in the modern chemical industry. Towards the rational design of novel catalysts, understanding reactions over surfaces is the most essential aspect. Typical industrial catalytic...

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