The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts
Published in ACS Catalysis, 2023
Citation: Richard Tran, Janice Lan, Muhammed Shuaibi, Brandon Wood, Siddharth Goyal, Abhishek Das, Javier Heras-Domingo, Adeesh Kolluru, Ammar Rizvi, Nima Shoghi, others, ACS Catalysis, 2023. https://doi.org/10.1021/acscatal.2c05426
Develops the Open Catalyst 2022 (OC22) dataset to fill a critical gap in machine learning training data for oxide electrocatalysts, demonstrating improved prediction accuracy and establishing benchmarks for future research in renewable energy materials.