scholarly journals Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Author(s):  
Gerald Seidler ◽  
Samantha Tetef ◽  
Niranjan Govind
Author(s):  
Samantha Tetef ◽  
Niranjan Govind ◽  
Gerald T. Seidler

We utilize unsupervised machine learning to extract chemically relevant information in X-ray absorption near-edge structure (XANES) and in valence-to-core X-ray emission spectra (VtC-XES) for classification of an ensemble of sulphorganic molecules.


2014 ◽  
Vol 53 (16) ◽  
pp. 8367-8375 ◽  
Author(s):  
Timna-Josua Kühn ◽  
Josef Hormes ◽  
Nina Matoussevitch ◽  
Helmut Bönnemann ◽  
Pieter Glatzel

Author(s):  
Yang Liu ◽  
Avik Halder ◽  
Soenke Seifert ◽  
Nicholas Marcella ◽  
Stefan Vajda ◽  
...  

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