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Mag4: An Automated First-Principles Workflow to Extract Magnetic Interactions, from Pair Couplings to Four-Spin Ring Exchange
Chemists rationalize and design magnetic materials through structure-property relationships built on pairwise exchange couplings J, which energy-mapping methods now extract routinely from first principles. Yet whenever four magnetic centers close a loop, as in the CuO2 planes of the cuprates or the
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