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Published on: March 8, 2024
Machine learning in crystallography and structural science
Simon J L Billinge1, Thomas Proffen2
1Department of Applied Physics and Applied Mathematics, Columbia University, New York, USA.
Abstract:
An overview of the virtual collection on machine learning (ML) in crystallography and structural science, as represented in Acta Crystallographica Sections A, B and D, IUCrJ and Journal of Synchrotron Radiation, is presented. Some terms and concepts related to artificial intelligence and machine learning are briefly introduced and described, and a short history of ML in structural science as it appeared in these IUCr journals is given to whet the appetite for the rest of the collection.

