On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions

10 October 2023

Alvaro Carbonero

Alex Hernandez-Garcia

Papers citing "On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions"

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The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 213 498 0 20 Oct 2020