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Accurate property prediction for structures without knowledge of exact atomic positions is achieved with a machine-learning model. The model is formulated as neural-message passing on Voronoi graphs using a new… Click to show full abstract
Accurate property prediction for structures without knowledge of exact atomic positions is achieved with a machine-learning model. The model is formulated as neural-message passing on Voronoi graphs using a new method for the encoding of local symmetry information.
Keywords:
prediction using;
property;
symmetry;
materials property;
property prediction
Journal Title: Physical Review B
Year Published: 2019
Link to full text (if available)
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Journal Title: Physical Review B
Year Published: 2019
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!