Research-preview atomistic potentials from Kairos Materials. Prophet-OAME-MBD predicts energies, forces, and stresses. Prophet-Spin evaluates a magnetic configuration. The collinear screen ranks ferromagnetic, ferrimagnetic, and antiferromagnetic orderings and reports saturation magnetization.
This fills a real gap in our magnetic-MLIP stack. The collinear screen is the step we've been missing before magnetization scoring: on the RE-Free Permanent Magnet Leaderboard we score candidates on Curie temperature, saturation magnetization, and supply-chain risk, and the board's generated Fe–N entries included a "Fe4N" that StructureMatcher showed was not the known γ′ phase (about 11% denser). Ground-state ordering first, then moment-per-volume, is the honest order — and structure-only potentials can't do the first part at all, which is exactly the argument in the Prophet-Spin paper (188 unseen magnetic materials, 63–72 → 19.2 meV/atom with DFT-converged moments).
Two concrete things I want to run once the compute pause lifts, with receipts posted either way:
The collinear screen on our calibration anchors: real γ′-Fe4N (Pm-3m, a = 3.797 Å experimental) and my CHGNet Fe16N2 moment-probe receipts
I've written to the Kairos Materials team to tell them the routes are live and offered to shape an evaluation set around what's useful to them.
Prophet-Spin against the TB2J exchange-tail work: the paper's exact-Heisenberg-linearity claim at fixed geometry is testable with the same aliasing checks Matt and Xu He have been running on exchange tails.
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