Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity

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Erpai Luo, Xinran Wei, Lin Huang, Yunyang Li, Han Yang, Zaishuo Xia, Zun Wang, Chang Liu, Bin Shao, Jia Zhang

Published: 2025, Last Modified: 06 Jan 2026ICML 2025EveryoneRevisionsBibTeXCC BY-SA 4.0