Machine learning in solid heterogeneous catalysis: Recent developments, challenges and perspectives

• Published in: Chemical engineering science Vol. 248; p. 117224
• Main Authors: Guan, Yani, Chaffart, Donovan, Liu, Guihua, Tan, Zhaoyang, Zhang, Dongsheng, Wang, Yanji, Li, Jingde, Ricardez-Sandoval, Luis
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 02.02.2022
• Subjects: Catalysis descriptors; Catalyst database; Heterogeneous catalysis; Machine learning; Heterogeneous catalysis; Catalyst database; Catalysis descriptors; Machine learning
• ISSN: 0009-2509; 1873-4405
• DOI: 10.1016/j.ces.2021.117224

Recently, the availability of extensive catalysis-related data generated by experimental data and theoretical calculations has promoted the development of machine learning (ML) techniques for novel heterogeneous catalyst development. ML is an effective tool in automating the generation, processing,...