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.
Magnetic moment tensor potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe.npj Computational Materials, 8(1):13
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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.