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2020 – today
- 2024
[i9]Luis Barroso-Luque, Muhammed Shuaibi, Xiang Fu, Brandon M. Wood, Misko Dzamba, Meng Gao, Ammar Rizvi, C. Lawrence Zitnick, Zachary W. Ulissi:
Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models. CoRR abs/2410.12771 (2024)- 2023
- [j3]Muhammed Shuaibi, Yuge Hu
, Xiangyun Lei, Benjamin M. Comer, Matt Adams, Jacob Paras, Rui Qi Chen, Eric Musa, Joseph Musielewicz, Andrew A. Peterson, Andrew J. Medford, Zachary W. Ulissi:
AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification. J. Open Source Softw. 8(87): 5035 (2023) - 2022
- [j2]Johannes Gasteiger, Muhammed Shuaibi, Anuroop Sriram, Stephan Günnemann, Zachary W. Ulissi, C. Lawrence Zitnick, Abhishek Das:
GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets. Trans. Mach. Learn. Res. 2022 (2022) - [c2]Larry Zitnick, Abhishek Das, Adeesh Kolluru, Janice Lan, Muhammed Shuaibi, Anuroop Sriram, Zachary W. Ulissi, Brandon M. Wood:
Spherical Channels for Modeling Atomic Interactions. NeurIPS 2022 - [i8]Johannes Gasteiger, Muhammed Shuaibi, Anuroop Sriram, Stephan Günnemann, Zachary W. Ulissi, C. Lawrence Zitnick, Abhishek Das:
How Do Graph Networks Generalize to Large and Diverse Molecular Systems? CoRR abs/2204.02782 (2022) - [i7]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 W. Ulissi, C. Lawrence Zitnick:
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis. CoRR abs/2206.08917 (2022) - [i6]C. Lawrence Zitnick, Abhishek Das, Adeesh Kolluru, Janice Lan, Muhammed Shuaibi, Anuroop Sriram, Zachary W. Ulissi, Brandon M. Wood:
Spherical Channels for Modeling Atomic Interactions. CoRR abs/2206.14331 (2022) - [i5]Janice Lan, Aini Palizhati, Muhammed Shuaibi, Brandon M. Wood, Brook Wander, Abhishek Das, Matt Uyttendaele, C. Lawrence Zitnick, Zachary W. Ulissi:
AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning. CoRR abs/2211.16486 (2022) - 2021
- [j1]Muhammed Shuaibi, Saurabh Sivakumar, Rui Qi Chen, Zachary W. Ulissi:
Enabling robust offline active learning for machine learning potentials using simple physics-based priors. Mach. Learn. Sci. Technol. 2(2): 25007 (2021) - [c1]Abhishek Das, Muhammed Shuaibi, Aini Palizhati, Siddharth Goyal, Aditya Grover, Adeesh Kolluru, Janice Lan, Ammar Rizvi, Anuroop Sriram, Brandon M. Wood, Devi Parikh, Zachary W. Ulissi, C. Lawrence Zitnick, Guolin Ke, Shuxin Zheng, Yu Shi, Di He, Tie-Yan Liu, Chengxuan Ying, Jiacheng You, Yihan He, Rostislav Grigoriev, Ruslan Lukin, Adel Yarullin, Max Faleev:
The Open Catalyst Challenge 2021: Competition Report. NeurIPS (Competition and Demos) 2021: 29-40 - [i4]Weihua Hu, Muhammed Shuaibi, Abhishek Das, Siddharth Goyal, Anuroop Sriram, Jure Leskovec, Devi Parikh, C. Lawrence Zitnick:
ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations. CoRR abs/2103.01436 (2021) - [i3]Muhammed Shuaibi, Adeesh Kolluru, Abhishek Das, Aditya Grover, Anuroop Sriram, Zachary W. Ulissi, C. Lawrence Zitnick:
Rotation Invariant Graph Neural Networks using Spin Convolutions. CoRR abs/2106.09575 (2021) - 2020
- [i2]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 M. Wood, Junwoong Yoon, Devi Parikh, Zachary W. Ulissi:
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage. CoRR abs/2010.09435 (2020) - [i1]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 M. Wood, Junwoong Yoon, Devi Parikh, C. Lawrence Zitnick, Zachary W. Ulissi:
The Open Catalyst 2020 (OC20) Dataset and Community Challenges. CoRR abs/2010.09990 (2020)
Coauthor Index
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