Transparent reporting for agentic catalysis enabled by artificial intelligence: Community guidelines and a publication checklist

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Authors: Hongliang Xin, John R. Kitchin, Núria López, Neil M. Schweitzer, Milad Abolhasani, Nongnuch Artrith, Líney Árnadóttir, Kamal Choudhary, Rui Ding, Anatoly I. Frenkel, Joseph A. Gauthier, Bryan R. Goldsmith
+33 more Amir Barati Farimani, Lars C. Grabow, G. T. Kasun Kalhara Gunasooriya, Guoxiang Hu, Tyler R. Josephson, Heather J. Kulik, Ritesh Kumar, Teodoro Laino, Hui Li, Xiaoyan Li, Weiwei Li, Suljo Linic, Chong Liu, Cong Liu, Fudong Liu, Mingjie Liu, Piao Ma, Andrew J. Medford, Sukrit Mukhopadhyay, Pengfei Ou, Christopher Paolucci, Jiayu Peng, Cory Phillips, Marc D. Porosoff, Long Qi, Shijing Sun, Tibor Szilvási, Johannes Voss, Xiaonan Wang, Kirsten Winther, Qin Wu, Di Zhang, Zisheng Zhang
Cited by: 1
References: 59

Fields of Study & Subjects

Machine Learning in Materials Science Catalysis and Oxidation Reactions Scientific Computing and Data Management

Publication details

Journal / source
Chem Catalysis
Publisher
Elsevier BV
Volume
6
Issue
8
Pages
101755–101755
Publication date
19 June 2026
Language
EN