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C. Lawrence Zitnick

Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models

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Oct 16, 2024
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Fine-Tuned Language Models Generate Stable Inorganic Materials as Text

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Feb 06, 2024
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From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction

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Oct 25, 2023
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Reducing SO Convolutions to SO for Efficient Equivariant GNNs

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Feb 07, 2023
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AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning

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Nov 29, 2022
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Spherical Channels for Modeling Atomic Interactions

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Jun 29, 2022
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The Open Catalyst 2022 Dataset and Challenges for Oxide Electrocatalysis

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Jun 17, 2022
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How Do Graph Networks Generalize to Large and Diverse Molecular Systems?

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Apr 06, 2022
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Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations

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Mar 18, 2022
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Compositional Transformers for Scene Generation

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Nov 17, 2021
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