Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity

Fuente: arXiv

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Bibliographic Details
Main Authors:	Luo, Erpai, Wei, Xinran, Huang, Lin, Li, Yunyang, Yang, Han, Xia, Zaishuo, Wang, Zun, Liu, Chang, Shao, Bin, Zhang, Jia
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2502.01171