Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification...
Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification and Property Prediction
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Weinheim: John Wiley & Sons, Inc
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Language
English
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Publisher
Weinheim: John Wiley & Sons, Inc
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Contents
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), transformer encoder (T‐encoder), and variational au...
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Full title
Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification and Property Prediction
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TN_cdi_doaj_primary_oai_doaj_org_article_760e235e86aa4ae08c5a79c88276d052
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_760e235e86aa4ae08c5a79c88276d052
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ISSN
2640-4567
E-ISSN
2640-4567
DOI
10.1002/aisy.202200042
