Active learning of collinear magnetic Moment Tensor Potentials using the spin-MLIP package from soft-constrained spin-polarized DFT calculations: a case study of Fe-Pd

Arseniy Burov, Alexey S. Kotykhov, Dmitry A. Aksyonov +2

Explicit incorporation of magnetic degrees of freedom in machine-learning interatomic potentials (magnetic MLIPs) plays a crucial role in the correct description of magnetic materi…