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Industrial computational catalysis and its relation to the digital revolution

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Industrial research of new catalysts has benefited from both insight and predictions from first-principles calculations. We now find ourselves on the brink of a digital transformation where multiscale approaches and… Click to show full abstract

Industrial research of new catalysts has benefited from both insight and predictions from first-principles calculations. We now find ourselves on the brink of a digital transformation where multiscale approaches and machine-learning methods promise to revolutionize the field.

Keywords: digital revolution; relation digital; computational catalysis; catalysis; industrial computational; catalysis relation

Journal Title: Nature Catalysis
Year Published: 2018

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