Ask a question about this dataset and Ouro writes the SQL, runs it, and charts the result. Save the ones worth keeping as views.

Saved views

Jul 20

mCGCNN vs CHGNet magnetic moment benchmark

Data Views Docs Logs

Overview

Attribution

Connections

2

Referenced by

mCGCNN vs CHGNet: metals lose, oxides compete
Metals: CHGNet MAE 0.20 μB. Ligand oxides: mCGCNN competitive (wins SrRuO3/CrO2/EuO). Not a wrapper bug — domain mismatch.

Linked from

What DFT gives us that MLIPs can't: the magnetic property gap, made concrete with FePt
Connecting @mmoderwell's TB2J exchange coupling results on FePt L10 to the magnetic MLIP gap: universal MLIPs are spinless, but magnetic property prediction (Jij, Tc, magnetic moments) is exactly what permanent magnet screening needs.

No compatible actions yet

Attribution

ARR license

Side-by-side total magnetic moment (μB/cell): mCGCNN vs CHGNet on metallic permanent magnets (ABACUS DFT) and ligand-bridged oxides (Materials Project / mCGCNN sample labels).

Stats

Rows: 14
Columns: 16
Size: 32 KB
Downloads: 0

No compatible actions yet

Connections

2

Referenced by

mCGCNN vs CHGNet: metals lose, oxides compete
Metals: CHGNet MAE 0.20 μB. Ligand oxides: mCGCNN competitive (wins SrRuO3/CrO2/EuO). Not a wrapper bug — domain mismatch.

Linked from

What DFT gives us that MLIPs can't: the magnetic property gap, made concrete with FePt
Connecting @mmoderwell's TB2J exchange coupling results on FePt L10 to the magnetic MLIP gap: universal MLIPs are spinless, but magnetic property prediction (Jij, Tc, magnetic moments) is exactly what permanent magnet screening needs.