Insightful classification of crystal structures using deep learning

Classifying crystal structures using their space group is important to understand material properties, but the process currently requires user input. Here, the authors use machine learning to automatically classify more than 100,000 simulated perfect and defective crystal structures.

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Bibliographic Details
Main Authors: Angelo Ziletti, Devinder Kumar, Matthias Scheffler, Luca M. Ghiringhelli
Format: article
Language:EN
Published: Nature Portfolio 2018
Subjects:
Q
Online Access:https://doaj.org/article/fdc2ae7369674905b86a4eaab4c29eff
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