Generative intelligence explores the chemical space of ten million catalysts

Chemical Science 2026 Open access

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Authors: Ruili Li, Shuoqi Zhang, Qingli Tang, Qingqing Mao, Ritankar Das, Rui Qi, Beien Zhu, Yi Gao
DOI: 10.1039/d6sc01469k
Cited by: 1
References: 80

Abstract

activation. This work establishes a generalizable paradigm that seamlessly bridges generative exploration with high-throughput performance mapping, dramatically accelerating catalyst discovery across unprecedented chemical spaces.

Fields of Study & Subjects

Machine Learning in Materials Science Catalysis and Oxidation Reactions Surface Chemistry and Catalysis

Publication details

Journal / source
Chemical Science
Publisher
Royal Society of Chemistry (RSC)
Volume
17
Issue
26
Pages
12996–13006
Publication date
1 January 2026
Language
EN