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Accelerated discovery of multi-elemental reverse water-gas shift catalysts using extrapolative machine learning approach - Nature Communications

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Accelerated discovery of multi-elemental reverse water-gas shift catalysts using extrapolative machine learning approach - Nature Communications

Designing novel catalysts is key to solving many energy and environmental challenges. Despite the promise that data science approaches, including machine learning (ML), can accelerate the development of catalysts, truly novel catalysts have rarely been discovered through ML approaches because of one of its most common limitations and criticisms—the assumed inability to extrapolate and identify extraordinary materials.

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Accelerated discovery of multi-elemental reverse water-gas shift catalysts using extrapolative machine learning approach - Nature Communications

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Accelerated discovery of multi-elemental reverse water-gas shift catalysts using extrapolative machine learning approach - Nature Communications

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