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20222025
most citedPYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model

17 citations · 17 across the 5 of their papers we have counts for

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cs.LG2025

Advancing Universal Deep Learning for Electronic-Structure Hamiltonian Prediction of Materials

Shi Yin, Zujian Dai, Xinyang Pan +1

Deep learning methods for electronic-structure Hamiltonian prediction has offered significant computational efficiency advantages over traditional DFT methods, yet the diversity of…