Benchmarking universal machine learning interatomic potentials for rapid analysis of inelastic neutron scattering data

The accurate calculation of phonons and vibrational spectra remains a significant challenge, requiring highly precise evaluations of interatomic forces. Traditional methods based on the quantum description of the electronic structure, while widely used, are computationally expensive and demand subst...

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Bibliographic Details

Published in:	Machine Learning: Science and Technology
Main Authors:	Bowen Han, Yongqiang Cheng
Format:	Article
Language:	English
Published:	IOP Publishing 2025-01-01
Subjects:	phonon inelastic neutron scattering machine learning interatomic potential
Online Access:	https://doi.org/10.1088/2632-2153/adfa68