John R. Kitchin
Orcid: 0000-0003-2625-9232
According to our database1,
John R. Kitchin
authored at least 9 papers
between 2017 and 2024.
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Bibliography
2024
Circumventing data imbalance in magnetic ground state data for magnetic moment predictions.
Mach. Learn. Sci. Technol., March, 2024
J. Open Source Softw., February, 2024
Generalization of graph-based active learning relaxation strategies across materials.
Mach. Learn. Sci. Technol., 2024
2023
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.
J. Chem. Inf. Model., December, 2023
<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions.
J. Chem. Inf. Model., April, 2023
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction.
CoRR, 2023
2019
SoftwareX, 2019
2017