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Catalysis

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Theoretical and Computational Chemistry

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John Kitchin

2 results in Authors: John Kitchin

Identifying Limitations in Screening High-Throughput Photocatalytic Bimetallic Nanoparticles with Machine-Learned Hydrogen Adsorptions

Kirby Broderick, Eric Lopato, Brook Wander, Stefan Bernhard, John Kitchin, Zachary Ulissi

Version 2 posted 20 July 2022

585

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Theoretical and Computational Chemistry

Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Dataset

Aaron Garrison, Javier Heras-Domingo, John Kitchin, Gabriel Gomes, Zachary Ulissi, Samuel Blau

Version 2 posted 09 November 2023

780

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