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

Nathan Boulangeot, Florian Brix, Frédéric Sur, Émilie Gaudry

Open source

DOI
10.1021/acs.jctc.4c00367
Published
2024-08-19
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.4c00367,
  title = {Hydrogen, Oxygen, and Lead Adsorbates on Al<sub>13</sub>Co<sub>4</sub>(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data},
  author = {Nathan Boulangeot and Florian Brix and Frédéric Sur and Émilie Gaudry},
  year = {2024},
  journal = {Journal of Chemical Theory and Computation},
  doi = {10.1021/acs.jctc.4c00367},
  url = {https://doi.org/10.1021/acs.jctc.4c00367}
}

RIS

TY  - JOUR
TI  - Hydrogen, Oxygen, and Lead Adsorbates on Al<sub>13</sub>Co<sub>4</sub>(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data
AU  - Nathan Boulangeot
AU  - Florian Brix
AU  - Frédéric Sur
AU  - Émilie Gaudry
PY  - 2024
JO  - Journal of Chemical Theory and Computation
DO  - 10.1021/acs.jctc.4c00367
UR  - https://doi.org/10.1021/acs.jctc.4c00367
ER  - 

APA

Boulangeot, N., Brix, F., Sur, F., & Gaudry, É. (2024). Hydrogen, Oxygen, and Lead Adsorbates on Al<sub>13</sub>Co<sub>4</sub>(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.4c00367

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