Machine-learning force-field models for dynamical simulations of metallic magnets
Abstract
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.
Fields of Study & Subjects
Machine Learning in Materials Science
Quantum many-body systems
Model Reduction and Neural Networks
Publication details
- Journal / source
- AIP Advances
- Publisher
- AIP Publishing
- Volume
- 16
- Issue
- 2
- Publication date
- 1 February 2026
- Language
- EN