Hydrogen, Oxygen, and Lead Adsorbates on Al 13 Co 4 (100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data - Archive ouverte HAL
Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2024

Hydrogen, Oxygen, and Lead Adsorbates on Al 13 Co 4 (100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data

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Chimie Informatique [cs] Physique [physics]

Emilie Gaudry  : Connectez-vous pour contacter le contributeur

https://hal.science/hal-04759834

Soumis le : mercredi 30 octobre 2024-10:22:38

Dernière modification le : jeudi 31 octobre 2024-03:23:06

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hal-04759834 , version 1 (30-10-2024)

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Nathan Boulangeot, Florian Brix, Frédéric Sur, Émilie Gaudry. Hydrogen, Oxygen, and Lead Adsorbates on Al 13 Co 4 (100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data. Journal of Chemical Theory and Computation, 2024, ⟨10.1021/acs.jctc.4c00367⟩. ⟨hal-04759834⟩

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