Machine-learning force-field models for dynamical simulations of metallic magnets

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Authors: Gia-Wei Chern, Yanlong Fan, Sheng Zhang, Puhan Zhang
Cited by: 1
References: 78

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