DOE OSTI · 2333723
MLstructureMining: a machine learning tool for structure identification from X-ray pair distribution functions
Abstract
We present MLstructureMining, a machine learning tool that identifies a structural model from an experimental pair distribution function. We show how the method can be used for structure analysis of both crystalline and nanocrystalline materials.
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Kjær, Emil T. S., Anker, Andy S., Kirsch, Andrea, Lajer, Joakim, Aalling-Frederiksen, Olivia, Billinge, Simon J. L., Jensen, Kirsten M. Ø.. 2024-05-15. MLstructureMining: a machine learning tool for structure identification from X-ray pair distribution functions. https://doi.org/10.1039/d4dd00001c
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