Classification of crystal structure using a convolutional neural network

A deep machine-learning technique based on a convolutional neural network (CNN) is introduced. It has been used for the classification of powder X-ray diffraction (XRD) patterns in terms of crystal system, extinction group and space group. About 150 000 powder XRD patterns were collected and used as...

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Bibliographic Details
Published in:	IUCrJ Vol. 4; no. 4; pp. 486 - 494
Main Authors:	Park, Woon Bae, Chung, Jiyong, Jung, Jaeyoung, Sohn, Keemin, Singh, Satendra Pal, Pyo, Myoungho, Shin, Namsoo, Sohn, Kee-Sun
Format:	Journal Article
Language:	English
Published:	England International Union of Crystallography 01.07.2017
Subjects:	artificial neural network (ANN) Artificial neural networks computational modelling convolutional neural network (CNN) Crystal structure crystal structure prediction crystal system inorganic materials Observations powder X-ray diffraction properties of solids Research Papers crystal system artificial neural network (ANN) inorganic materials properties of solids convolutional neural network (CNN) crystal structure prediction computational modelling powder X-ray diffraction
ISSN:	2052-2525, 2052-2525
Online Access:	Get full text
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