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Machine learning reveals orbital interaction in materials
We propose a novel representation of materials named an ‘orbital-field matrix (OFM)’, which is based on the distribution of valence shell electrons. We demonstrate that this new representation can be highly useful in mining material data. Experimental investigation shows that the formation energies...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Taylor & Francis
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5678453/ https://www.ncbi.nlm.nih.gov/pubmed/29152012 http://dx.doi.org/10.1080/14686996.2017.1378060 |