A Comparative Study of Machine Learning Models Predicting Energetics of Interacting Defects

20 March 2024

Papers citing "A Comparative Study of Machine Learning Models Predicting Energetics of Interacting Defects"

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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 239 513 0 20 Oct 2020
Machine learning for molecular simulation Frank Noé A. Tkatchenko K. Müller C. Clementi AI4CE 64 652 0 07 Nov 2019