An equivariant message-passing neural network embeds atomic spins explicitly to learn magnetic interactions, achieving near-DFT accuracy and data efficiency across magnetic systems via fine-tuning.
Challenges and strategies for first- principles simulations of two-dimensional magnetic phe- nomena.Nanoscale, 17(43):24955–24989, 2025
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Equivariant Many-body Message Passing Interatomic Potentials for Magnetic Materials
An equivariant message-passing neural network embeds atomic spins explicitly to learn magnetic interactions, achieving near-DFT accuracy and data efficiency across magnetic systems via fine-tuning.