Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties
Abstract The unique nature of constituent chemical elements gives rise to fundamental differences in materials. Assessing materials based on their phase fields, defined as sets of constituent elements, before specific differences emerge due to composition and structure can reduce combinatorial compl...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-09-01
|
| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01072-x |