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The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts

Richard Tran,Janice Lan,Muhammed Shuaibi,Brandon M. Wood,Siddharth Goyal,Abhishek Das,Javier Heras-Domingo,Adeesh Kolluru,Ammar Rizvi,Nima Shoghi,Anuroop Sriram,Felix Therrien,Jehad Abed,Oleksandr Voznyy,Edward H. Sargent,Zachary Ulissi,C. . Lawrence Zitnick

ACS Catalysis（2023）

引用 82|浏览141
关键词
catalysis,oxides,renewable energy,datasets,machine learning,graph convolutions,force field
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