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

Ze Yang130022 ChangchunWang Gao130022 ChangchunQing Jiang130022 Changchun
2020en
ABI

Аннотация

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.

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