RESEARCH PAPER · npj Computational Materials · 2025
Active learning of effective Hamiltonian for super-large-scale atomic structures
Xingyue Ma, Hongying Chen, Ri He, Zhanbo Yu, Sergei Prokhorenko, Zheng Wen, Zhicheng Zhong, Jorge Íñiguez, L. Bellaïche, Di Wu, Yurong Yang
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