A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors

2020 ◽  
Vol 8 (34) ◽  
pp. 17507-17515
Author(s):  
Ze Yang ◽  
Wang Gao ◽  
Qing Jiang

We develop a universal design scheme based on the machine learning method and the intrinsic properties of substrates and adsorbates, allowing accurate prediction and rapid screening through a large phase space of alloys and multiple adsorbates.

2019 ◽  
Author(s):  
Hironori Takemoto ◽  
Tsubasa Goto ◽  
Yuya Hagihara ◽  
Sayaka Hamanaka ◽  
Tatsuya Kitamura ◽  
...  

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