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Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis
Heterogeneous catalytic reactions are influenced by a subtle interplay of atomic-scale factors, ranging from the catalysts’ local morphology to the presence of high adsorbate coverages. Describing such phenomena via computational models requires generation and analysis of a large space of atomic con...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9527237/ https://www.ncbi.nlm.nih.gov/pubmed/36184625 http://dx.doi.org/10.1038/s41467-022-33256-2 |