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

Abstract 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 becau...

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Bibliographic Details
Main Authors: Gang Wang, Shinya Mine, Duotian Chen, Yuan Jing, Kah Wei Ting, Taichi Yamaguchi, Motoshi Takao, Zen Maeno, Ichigaku Takigawa, Koichi Matsushita, Ken-ichi Shimizu, Takashi Toyao
Format: Article
Language:English
Published: Nature Portfolio 2023-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-41341-3