MLstructureMining: a device finding out instrument for construction id from X-ray pair distribution purposes

mlstructuremining:-a-device-finding-out-instrument-for-construction-id-from-x-ray-pair-distribution-purposes

MLstructureMining: a device finding out instrument for construction id from X-ray pair distribution purposes

GA?id=D4DD00001C

Digital Discovery, 2024, Advance Article
DOI: 10.1039/D4DD00001C, Paper
Open Access Open Access
Emil T. S. Kjær, Andy S. Anker, Andrea Kirsch, Joakim Lajer, Olivia Aalling-Frederiksen, Simon J. L. Billinge, Kirsten M. Ø. Jensen
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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