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Accelerating the discovery of active and selective CO2RR catalysts using a high-throughput virtual screening strategy

Chemistry

Accelerating the discovery of active and selective CO2RR catalysts using a high-throughput virtual screening strategy

D. H. Mok, H. Lee, et al.

Discover how D. H. Mok, H. Lee, G. Zhang, C. Li, Kun Jiang, and Seoin Back developed a high-throughput virtual screening workflow that utilizes machine learning to identify promising catalysts for CO2 reduction reactions, accelerating the fight against climate change.

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~3 min • Beginner • English
Abstract
Publisher
Nature Communications
Published On
Oct 26, 2023
Authors
D. H. Mok, H. Lee, G. Zhang, C. Li, Kun Jiang, Seoin Back
Tags
CO2 reduction
catalysts
machine learning
high-throughput virtual screening
selectivity maps
climate change
chemical space
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