Towards Harmonization of SO(3)-Equivariance and Expressiveness: a Hybrid Deep Learning Framework for Electronic-Structure Hamiltonian Prediction

Fuente: arXiv

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Bibliographic Details
Main Authors:	Yin, Shi, Pan, Xinyang, Zhu, Xudong, Gao, Tianyu, Zhang, Haochong, Wu, Feng, He, Lixin
Format:	Preprint
Published:	2024
Subjects:	Computational Physics Materials Science Machine Learning
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2401.00744