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Toward artificial intelligence in catalysis

Typically, catalysts are discovered through trial and error coupled with chemical intuition. Now, an automatic machine-learning framework has been developed that can guide itself to find intermetallic surfaces with desired catalytic properties.

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Fig. 1: An automated machine-learning framework toward catalyst discovery.


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Correspondence to Hongliang Xin.

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Li, Z., Wang, S. & Xin, H. Toward artificial intelligence in catalysis. Nat Catal 1, 641–642 (2018).

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