--- title: "Matt Moderwell" description: "Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets." url: "https://ouro.foundation/mmoderwell" --- # Matt Moderwell @mmoderwell · User on Ouro Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets. - Followers: 16 - Public assets: 2344 - https://x.com/mmoderwell - https://www.linkedin.com/in/mmoderwell/ - https://github.com/mmoderwell ## Browse - [Data](https://ouro.foundation/mmoderwell/datasets) - [Services](https://ouro.foundation/mmoderwell/services) - [Posts](https://ouro.foundation/mmoderwell/posts) - [Quests](https://ouro.foundation/mmoderwell/quests) ## Recently published - [Fe3O4 orbitals at Γ](https://ouro.foundation/files/mmoderwell/fe3o4-orbitals-at-gamma) (file in #permanent-magnets, 2026-10-04): Gaussian cube of Kohn–Sham orbitals at Γ (signed ψ, bohr^-3/2), one dataset per state: HOMO-1, HOMO, LUMO, LUMO+1. Members of a degenerate level are one valid basis of it. - [Orbitals at Γ](https://ouro.foundation/routes/mmoderwell/orbitals-at-gamma) (route in #materials-science, 2026-10-03): Compute the Kohn–Sham orbitals nearest the Fermi level (HOMO-1, HOMO, LUMO, LUMO+1, per spin channel) at the Γ point, as signed real wavefunctions. Returns one Gaussian cube with a dataset per state,… - [Can we compute a pigment's colour? First results on eight known pigments and YInMn blue](https://ouro.foundation/posts/mmoderwell/can-we-compute-a-pigments-colour-first-results-on-eight-known-pigments-and-yinmn-blue) (post in #pigments, 2026-10-02): A first-principles colour pipeline tested on eight known pigments and YInMn blue: what it gets right, where the band gap decides the hue, and what is still missing before it can find a red. - [Pigment colour benchmark: predicted colours by method](https://ouro.foundation/datasets/mmoderwell/pigment-colour-benchmark-predicted-colours-by-method) (dataset in #pigments, 2026-10-02): Predicted powder colour (sRGB hex and CIE Lab* under D65) for eight known pigments under five band-gap treatments, plus five YInMn-family cells. One row per pigment and method, with the gap that metho… - [YInMn blue: predicted colours against the measured blue](https://ouro.foundation/files/mmoderwell/yinmn-blue-predicted-colours-against-the-measured-blue) (file in #pigments, 2026-10-02): Predicted powder colours for YInO3, Mn-doped YInO3 (without U, with U = 4 eV, and with the apical Mn-O bond shortened) and YMnO3 from PBE(+U) independent-particle optics, beside the measured colour of… - [Predicted pigment colours: five gap treatments, eight known pigments](https://ouro.foundation/files/mmoderwell/predicted-pigment-colours-five-gap-treatments-eight-known-pigments) (file in #pigments, 2026-10-02): Powder colours predicted from first principles for eight known pigments, one column per way of fixing the band gap. Each swatch is labelled with the gap that method used. - [Fe-N: 7 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/fe-n-7-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 7 stable or near-hull candidates in the Fe-N chemical system as CIF files, within 150 meV/atom of the convex hull, tetragonal only. Formulas: N, Fe12N, Fe8N, Fe4N, Fe5N, Fe4N2, +1 more. Each CIF carri… - [Fe-N: 1 GGen candidate structure (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/fe-n-1-ggen-candidate-structure-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 1 stable or near-hull candidate in the Fe-N chemical system as CIF files, within 150 meV/atom of the convex hull. Formulas: Fe6N. Each CIF carries provenance (GGen, Materials Project or Alexandria). - [Al-Mn: 23 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/al-mn-23-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 23 stable or near-hull candidates in the Al-Mn chemical system as CIF files, within 150 meV/atom of the convex hull, tetragonal only. Formulas: AlMn2, Al2Mn2, Al4Mn6, Al8Mn6, Al10Mn9, Al9Mn11, +17 mor… - [Al-Mn: 2 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/al-mn-2-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 2 stable or near-hull candidates in the Al-Mn chemical system as CIF files, within 150 meV/atom of the convex hull. Formulas: Al2Mn2, Al2Mn3. Each CIF carries provenance (GGen, Materials Project or Al… - [B-Co-Fe: 25 GGen candidate structures (≤150 meV/atom above hull) 1](https://ouro.foundation/files/mmoderwell/b-co-fe-25-ggen-candidate-structures-150-mev-atom-above-hull-1) (file in #permanent-magnets, 2026-10-01): 25 stable or near-hull candidates in the B-Co-Fe chemical system as CIF files, within 150 meV/atom of the convex hull. Formulas: Fe, CoFe15, Fe7Co, Fe13Co3, Fe2B, CoFe3, +19 more. Each CIF carries pro… - [B-Co-Fe: 13 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/b-co-fe-13-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 13 stable or near-hull candidates in the B-Co-Fe chemical system as CIF files, within 150 meV/atom of the convex hull. Formulas: B4Co2Fe6, B4Co2Fe4, B2CoFe3, B3Co2Fe4, B3CoFe4, B4Co2Fe5, +7 more. Each… - [B-Co-Fe: 25 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/b-co-fe-25-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 25 stable or near-hull candidates in the B-Co-Fe chemical system as CIF files, within 150 meV/atom of the convex hull, tetragonal, orthorhombic only. Formulas: CoFe15, Fe13Co3, Fe2B, CoFe3, Co5Fe11, C… - [B-Fe-P: 10 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/b-fe-p-10-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 10 stable or near-hull candidates in the B-Fe-P chemical system as CIF files, within 150 meV/atom of the convex hull, tetragonal only. Formulas: Fe2B, Fe3P, Fe5B2P, B4Fe16, BFe29, B4Fe6, +4 more. Each… - [B-Fe-P: 14 GGen candidate structures (≤150 meV/atom above hull)](https://ouro.foundation/files/mmoderwell/b-fe-p-14-ggen-candidate-structures-150-mev-atom-above-hull) (file in #permanent-magnets, 2026-10-01): 14 stable or near-hull candidates in the B-Fe-P chemical system as CIF files, within 150 meV/atom of the convex hull, tetragonal only. Formulas: B2Fe4, Fe3P, Fe5B2P, B4Fe8, B8Fe16, Fe2B, +8 more. Each… - [Thermoelectrics API: 5–7x faster band structures, and an HSE06 gap fix that didn't work](https://ouro.foundation/posts/mmoderwell/thermoelectrics-api-5-7x-faster-band-structures-and-an-hse06-gap-fix-that-didnt-work) (post in #thermoelectrics, 2026-10-01): We moved the DFT band step to one MPI rank per core, and tested an HSE06 scissor correction for the PBE band gap. The first is live; the second we are not shipping. - [HSE06 scissor test on four thermoelectrics](https://ouro.foundation/datasets/mmoderwell/hse06-scissor-test-on-four-thermoelectrics) (dataset in #thermoelectrics, 2026-10-01): Band gaps (eV) for Si, SnSe, PbTe and Bi2Te3: dense-mesh PBE(+SOC), coarse-mesh PBE and HSE06 without SOC, the HSE06 minus PBE shift, the shifted gap, and experiment. ABACUS 3.10.1 LCAO, DZP basis, ks… - [Thermoelectrics ABACUS layout benchmark](https://ouro.foundation/datasets/mmoderwell/thermoelectrics-abacus-layout-benchmark) (dataset in #thermoelectrics, 2026-10-01): Wall time of the ABACUS SCF + NSCF band step on 8 cores, old layout (2 MPI ranks x 4 threads) vs new layout (8 ranks x 1 thread with k-point pools). Single runs, 2026-10-01. PBE, with SOC for PbTe, Bi… - [Sell in USD, Bitcoin, or both, and charge routes per second](https://ouro.foundation/posts/mmoderwell/sell-in-usd-bitcoin-or-both-and-charge-routes-per-second) (post in #ouro-platform, 2026-10-01): Two pricing updates: one asset can now accept both USD and sats at independent prices, and API routes can bill per second of runtime up to a cap. - [Mn-Si: GGen structure exploration (4 near hull, 3 new)](https://ouro.foundation/posts/mmoderwell/mn-si-ggen-structure-exploration-4-near-hull-3-new) (post in #materials-science, 2026-10-01): GGen ran 40 trials across 8 Mn-Si stoichiometries in 2.4 min, keeping 39 relaxed structures. 4 of them landed within 150 meV/atom of the convex hull, 3 of which the database had not seen before. The l… - [Co-Si-{X}: GGen system scout (2 systems, 8 new phases)](https://ouro.foundation/posts/mmoderwell/co-si-x-ggen-system-scout-2-systems-8-new-phases) (post in #materials-science, 2026-10-01): GGen scouted 2 candidate systems for Co-Si-{X} across 36 trials in 3.8 min, retaining 9 structures within 150 meV/atom of the hull. 8 near-hull phases were new to the database. Co-Ni-Si (X=Ni) ranked… - [Ni-Si: GGen structure exploration (6 near hull, 3 new)](https://ouro.foundation/posts/mmoderwell/ni-si-ggen-structure-exploration-6-near-hull-3-new) (post in #materials-science, 2026-10-01): GGen ran 40 trials across 8 Ni-Si stoichiometries in 0.5 min, keeping 40 relaxed structures. 6 of them landed within 150 meV/atom of the convex hull, 3 of which the database had not seen before. The l… - [Co-Si: GGen structure exploration (4 near hull, 4 new)](https://ouro.foundation/posts/mmoderwell/co-si-ggen-structure-exploration-4-near-hull-4-new) (post in #materials-science, 2026-10-01): GGen ran 40 trials across 8 Co-Si stoichiometries in 3.0 min, keeping 40 relaxed structures. 4 of them landed within 150 meV/atom of the convex hull, 4 of which the database had not seen before. The l… - [Fe-Si: GGen structure exploration (6 near hull, 5 new)](https://ouro.foundation/posts/mmoderwell/fe-si-ggen-structure-exploration-6-near-hull-5-new) (post in #materials-science, 2026-10-01): GGen ran 40 trials across 8 Fe-Si stoichiometries in 5.4 min, keeping 42 relaxed structures. 6 of them landed within 150 meV/atom of the convex hull, 5 of which the database had not seen before. The l… - [Fe2O3 (I4/mmm)](https://ouro.foundation/files/mmoderwell/fe2o3-i4-mmm) (file in #materials-science, 2026-10-01): Fe2O3 (best of 5 space groups, final: I4/mmm #139, optimized: 402 steps, cell relaxed, symmetry refined) - [Fe2O3 (Amm2)](https://ouro.foundation/files/mmoderwell/fe2o3-amm2) (file in #materials-science, 2026-10-01): Fe2O3 (best of 5 space groups, final: Amm2 #38, optimized: 400 steps, cell relaxed, symmetry refined) - [FeN (F-43m): Prophet relaxed, FiM magnetic moments (0.61 μB)](https://ouro.foundation/files/mmoderwell/fen-f-43m-prophet-relaxed-fim-magnetic-moments-0-61-mu-b) (file in #materials-science, 2026-10-01): FeN (F-43m) relaxed with Prophet-OAME-MBD (cell and positions, volume change -0.85%). Prophet-Spin ground state is ferrimagnetic, net -0.61 μB/cell. Saturation magnetization (moments aligned) Ms = 0.4… - [Ferro, antiferro, ferri: three ways atoms line up their magnets](https://ouro.foundation/posts/mmoderwell/ferro-antiferro-ferri-three-ways-atoms-line-up-their-magnets) (post in #permanent-magnets, 2026-10-01): An interactive 3D look at magnetic order in bcc Fe, NiO, and GdCo5 - [Magnetic order in 3D: FM, AFM, FiM](https://ouro.foundation/files/mmoderwell/magnetic-order-in-3d-fm-afm-fim) (file in #permanent-magnets, 2026-10-01): Interactive 3D view of ferromagnetic bcc Fe, antiferromagnetic NiO, and ferrimagnetic GdCo5, with a temperature slider and net moment readout - [MnGa spin-2 charge density 9](https://ouro.foundation/files/mmoderwell/mnga-spin-2-charge-density-9) (file in #materials-science, 2026-10-01): Gaussian cube spin channel 2 (SPIN2_CHG.cube)