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Zachary Ulissi

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Fine-Tuned Language Models Generate Stable Inorganic Materials as Text

Feb 06, 2024
Nate Gruver, Anuroop Sriram, Andrea Madotto, Andrew Gordon Wilson, C. Lawrence Zitnick, Zachary Ulissi

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The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture

Nov 01, 2023
Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M. Brabson, Abhishek Das, Zachary Ulissi, Matt Uyttendaele, Andrew J. Medford, David S. Sholl

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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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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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FINETUNA: Fine-tuning Accelerated Molecular Simulations

May 02, 2022
Joseph Musielewicz, Xiaoxiao Wang, Tian Tian, Zachary Ulissi

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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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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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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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