Direct prediction of inelastic neutron scattering spectra from the crystal structure

Direct prediction of inelastic neutron scattering spectra from the crystal structure

Inelastic neutron scattering (INS) is a powerful technique to study vibrational dynamics of materials with several unique advantages. However, analysis and interpretation of INS spectra often require advanced modeling that needs specialized computing resources and relevant expertise. This difficulty...

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Bibliographic Details
Main Authors: Yongqiang Cheng, Geoffrey Wu, Daniel M Pajerowski, Matthew B Stone, Andrei T Savici, Mingda Li, Anibal J Ramirez-Cuesta
Format: Article
Language:English
Published: IOP Publishing 2023-01-01
Series:Machine Learning: Science and Technology
Subjects:
inelastic neutron scattering
autoencoder
symmetry-aware neural network
structure-property relationship
Online Access:https://doi.org/10.1088/2632-2153/acb315

Internet

https://doi.org/10.1088/2632-2153/acb315

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