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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Detalhes bibliográficos

Principais autores:	Yongqiang Cheng, Geoffrey Wu, Daniel M Pajerowski, Matthew B Stone, Andrei T Savici, Mingda Li, Anibal J Ramirez-Cuesta
Formato:	Artigo
Idioma:	Inglês
Publicado em:	IOP Publishing 2023-01-01
coleção:	Machine Learning: Science and Technology
Assuntos:	inelastic neutron scattering autoencoder symmetry-aware neural network structure-property relationship
Acesso em linha:	https://doi.org/10.1088/2632-2153/acb315
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