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Muhammed Shuaibi
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AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning


Nov 29, 2022
Janice Lan, Aini Palizhati, Muhammed Shuaibi, Brandon M. Wood, Brook Wander, Abhishek Das, Matt Uyttendaele, C. Lawrence Zitnick, Zachary W. Ulissi

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* 20 pages, 5 figures 
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Spherical Channels for Modeling Atomic Interactions


Jun 29, 2022
C. Lawrence Zitnick, Abhishek Das, Adeesh Kolluru, Janice Lan, Muhammed Shuaibi, Anuroop Sriram, Zachary Ulissi, Brandon Wood

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* 17 pages 
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The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis


Jun 17, 2022
Richard Tran, Janice Lan, Muhammed Shuaibi, Siddharth Goyal, Brandon M. Wood, Abhishek Das, Javier Heras-Domingo, Adeesh Kolluru, Ammar Rizvi, Nima Shoghi, Anuroop Sriram, Zachary Ulissi, C. Lawrence Zitnick

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* 37 pages, 11 figures 
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How Do Graph Networks Generalize to Large and Diverse Molecular Systems?


Apr 06, 2022
Johannes Gasteiger, Muhammed Shuaibi, Anuroop Sriram, Stephan Günnemann, Zachary Ulissi, C. Lawrence Zitnick, Abhishek Das

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Rotation Invariant Graph Neural Networks using Spin Convolutions


Jun 17, 2021
Muhammed Shuaibi, Adeesh Kolluru, Abhishek Das, Aditya Grover, Anuroop Sriram, Zachary Ulissi, C. Lawrence Zitnick

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* 13 pages 
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ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations


Mar 02, 2021
Weihua Hu, Muhammed Shuaibi, Abhishek Das, Siddharth Goyal, Anuroop Sriram, Jure Leskovec, Devi Parikh, C. Lawrence Zitnick

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The Open Catalyst 2020 (OC20) Dataset and Community Challenges


Oct 20, 2020
Lowik Chanussot, Abhishek Das, Siddharth Goyal, Thibaut Lavril, Muhammed Shuaibi, Morgane Riviere, Kevin Tran, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Aini Palizhati, Anuroop Sriram, Brandon Wood, Junwoong Yoon, Devi Parikh, C. Lawrence Zitnick, Zachary Ulissi

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* 28 pages, 10 figures, submitted to ACS Catalysis 
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An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage


Oct 14, 2020
C. Lawrence Zitnick, Lowik Chanussot, Abhishek Das, Siddharth Goyal, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Thibaut Lavril, Aini Palizhati, Morgane Riviere, Muhammed Shuaibi, Anuroop Sriram, Kevin Tran, Brandon Wood, Junwoong Yoon, Devi Parikh, Zachary Ulissi

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* 27 pages 
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