Active learning for effective Hamiltonian of super-large-scale atomic structures

no code implementations • 18 Jul 2023 • Xingyue Ma, Hongying Chen, Ri He, Zhanbo Yu, Sergei Prokhorenko, Zheng Wen, Zhicheng Zhong, Jorge Iñiguez, L. Bellaiche, Di wu, Yurong Yang

However, the parametrization method of the effective Hamiltonian is complicated and hardly can resolve the systems with complex interactions and/or complex components.

Active Learning