Machine-learning force-field models for dynamical simulations of metallic magnets
We review recent advances in machine-learning (ML) force-field methods for Landau–Lifshitz–Gilbert simulations of itinerant electron magnets, focusing on their scalability and transferability. Built on the principle of locality, a deep neural-network model is developed to efficiently and accurately predict electron-mediated forces governing spin dynamics. Symmetry-aware descriptors constructed through a group-theoretical approach ensure rigorous incorporation of both lattice and spin-rotation symmetries. The framework is demonstrated using the prototypical s-d exchange model widely employed in spintronics. ML-enabled large-scale simulations reveal novel nonequilibrium phenomena, including anomalous coarsening of tetrahedral spin order on the triangular lattice and the freezing of phase-separation dynamics in lightly hole-doped, strong-coupling square-lattice systems. These results establish ML force-field frameworks as scalable, accurate, and versatile tools for modeling nonequilibrium spin dynamics in itinerant magnets.
Authors
- Yunhao Fan (ORCID: https://orcid.org/0000-0001-5450-9978)
- Puhan Zhang
- Sheng Zhang
- Gia-Wei Chern
Institutions
- University of Virginia (US)
Publication Details
- Journal
- AIP Advances
- Published
- 2026-02-01
- DOI
- https://doi.org/10.1063/9.0001056
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00