A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis
Predictive computational approaches are fundamental to accelerating solid-state inorganic synthesis. This work demonstrates a computational tractable approach constructed from available thermochemistry data and based on a graph-based network model for predicting solid-state inorganic reaction pathwa...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-05-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-23339-x |