Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification and Property Prediction

Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification and Property Prediction

Herein, data‐driven symmetry identification, property prediction, and low‐dimensional embedding from powder X‐Ray diffraction (XRD) patterns of inorganic crystal structure database (ICSD) and materials project (MP) entries are reported. For this purpose, a fully convolutional neural network (FCN), t...

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Bibliographic Details
Main Authors: Byung Do Lee, Jin-Woong Lee, Woon Bae Park, Joonseo Park, Min-Young Cho, Satendra Pal Singh, Myoungho Pyo, Kee-Sun Sohn
Format: Article
Language:English
Published: Wiley 2022-07-01
Series:Advanced Intelligent Systems
Subjects:
deep learning
X-ray diffraction (XRD) pattern
machine learning
property regression
symmetry classification
X-Ray diffraction (XRD) pattern
Online Access:https://doi.org/10.1002/aisy.202200042

Internet

https://doi.org/10.1002/aisy.202200042

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