The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts von Tran, Richard, Lan, Janice, Shuaibi, Muhammed, Wood, Brandon M., Goyal, Siddharth, Das, Abhishek, Heras-Domingo, Javier, Kolluru, Adeesh, Rizvi, Ammar, Shoghi, Nima, Sriram, Anuroop, Therrien, Félix, Abed, Jehad, Voznyy, Oleksandr, Sargent, Edward H., Ulissi, Zachary, Zitnick, C. Lawrence

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Matching crystal structures atom-to-atom von Therrien, Félix, Graf, Peter, Stevanović, Vladan

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Metastable materials discovery in the age of large-scale computation von Therrien, Félix, Jones, Eric B., Stevanović, Vladan

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Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis von Stevanović, Vladan, Trottier, Ryan, Musgrave, Charles, Therrien, Félix, Holder, Aaron, Graf, Peter

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Minimization of Atomic Displacements as a Guiding Principle of the Martensitic Phase Transformation von Therrien, Félix, Stevanović, Vladan

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Matching Crystal Structures Atom-to-Atom von Therrien, Félix, Graf, Peter, Stevanović, Vladan

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Theoretical Insights for Improving the Schottky-Barrier Height at the Ga 2 O 3 / Pt Interface von Therrien, Félix, Zakutayev, Andriy, Stevanović, Vladan

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Using GNN property predictors as molecule generators von Therrien, Félix, Sargent, Edward H, Voznyy, Oleksandr

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Minimization of atomic displacements as a guiding principle of the martensitic phase transformation von Therrien, Félix, Stevanović, Vladan

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Theoretical insights for Improving the Schottky-barrier Height at the Ga$_2$O$_3$/Pt Interface von Therrien, Félix, Zakutayev, Andriy, Stevanović, Vladan

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Using GNN property predictors as molecule generators von Therrien, Félix, Sargent, Edward H, Voznyy, Oleksandr

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Matching Crystal Structures Atom-to-Atom von Therrien, Félix, Graf, Peter, Stevanović, Vladan

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Theoretical insights for Improving the Schottky-barrier Height at the Ga\(_2\)O\(_3\)/Pt Interface von Therrien, Félix, Zakutayev, Andriy, Stevanović, Vladan

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Replication Data for: Description of the Martensitic Transformation Resulting From the Minimization of Atomic Displacements von Therrien, Felix, Stevanovic, Vladan

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The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts von Tran, Richard, Lan, Janice, Shuaibi, Muhammed, Wood, Brandon M, Goyal, Siddharth, Das, Abhishek, Heras-Domingo, Javier, Adeesh Kolluru, Rizvi, Ammar, Shoghi, Nima, Anuroop Sriram, Therrien, Felix, Abed, Jehad, Voznyy, Oleksandr, Sargent, Edward H, Ulissi, Zachary, Zitnick, C Lawrence

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Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis von Stevanovic, Vladan, Trottier, Ryan, Therrien, Felix, Musgrave, Charles, Holder, Aaron, Graf, Peter

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OC22-IS2RE-Validation-out-of-domain von Tran, Richard, Lan, Janice, Shuaibi, Muhammed, Wood, Brandon M., Siddharth Goyal, Abhishek Das, Heras-Domingo, Javier, Adeesh Kolluru, Rizvi, Ammar, Shoghi, Nima, Anuroop Sriram, Therrien, Felix, Abed, Jehad, Voznyy, Oleksandr, Sargent, Edward H., Ulissi, Zachary, C. Lawrence Zitnick

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OC22-S2EF-Validation-in-domain von Tran, Richard, Lan, Janice, Shuaibi, Muhammed, Wood, Brandon M., Siddharth Goyal, Abhishek Das, Heras-Domingo, Javier, Adeesh Kolluru, Rizvi, Ammar, Shoghi, Nima, Anuroop Sriram, Therrien, Felix, Abed, Jehad, Voznyy, Oleksandr, Sargent, Edward H., Ulissi, Zachary, C. Lawrence Zitnick

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OC22-S2EF-Train von Tran, Richard, Lan, Janice, Shuaibi, Muhammed, Wood, Brandon M., Siddharth Goyal, Abhishek Das, Heras-Domingo, Javier, Adeesh Kolluru, Rizvi, Ammar, Shoghi, Nima, Anuroop Sriram, Therrien, Felix, Abed, Jehad, Voznyy, Oleksandr, Sargent, Edward H., Ulissi, Zachary, C. Lawrence Zitnick

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OC22-IS2RE-Train von Tran, Richard, Lan, Janice, Shuaibi, Muhammed, Wood, Brandon M., Siddharth Goyal, Abhishek Das, Heras-Domingo, Javier, Adeesh Kolluru, Rizvi, Ammar, Shoghi, Nima, Anuroop Sriram, Therrien, Felix, Abed, Jehad, Voznyy, Oleksandr, Sargent, Edward H., Ulissi, Zachary, C. Lawrence Zitnick

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