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Melting temperature prediction using a graph neural network model: From ancient minerals to new materials
The melting point is a fundamental property that is time-consuming to measure or compute, thus hindering high-throughput analyses of melting relations and phase diagrams over large sets of candidate compounds. To address this, we build a machine learning model, trained on a database of ∼10,000 compo...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
National Academy of Sciences
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9457469/ https://www.ncbi.nlm.nih.gov/pubmed/36044552 http://dx.doi.org/10.1073/pnas.2209630119 |