Active learning of effective Hamiltonian for super-large-scale atomic structures
Bellaiche, Laurent
- Title
- Active learning of effective Hamiltonian for super-large-scale atomic structures
- Authors
- Ma, XY ; Chen, HY ; He, R ; Yu, ZB ; Prokhorenko, S ; Wen, Z ; Zhong, ZC ; Iñiguez-González, J ; Bellaiche, L [6] , [7] ; Wu, D ; Yang, YR
- Journal
- NPJ Computational Materials
- Volume
- 11
- Issue
- 1
- Year
- 2025
- DOI
- 10.1038/s41524-025-01563-z