Interatomic Potential Prediction on 3BPA 1200 K
23.42Energy RMSE (meV)TACE
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| TACECorrelation order=3, Representation (sph/cart)=Cartesian, Domain (spa/spe)=frequency2025.09 | 23.42 | 54.26 | |
| SpinGTP2026.07 | 29 | 61.4 | |
| TACECorrelation order=2, Representation (sph/cart)=Cartesian, Domain (spa/spe)=frequency2025.09 | 29.7 | 60.5 | |
| ICTP full2024.05 | 29.8 | 62.82 | |
| MACECitation Context=[33]2024.05 | 29.8 | 62 | |
| MACE2025.09 | 29.8 | 62 | |
| MACE2026.07 | 29.8 | 62 | |
| TACECorrelation order=2, Representation (sph/cart)=spherical, Domain (spa/spe)=spatial2025.09 | 30.4 | 63.8 | |
| MACE-Gaunt2026.07 | 30.4 | 63.1 | |
| TACECorrelation order=2, Representation (sph/cart)=Cartesian, Domain (spa/spe)=spatial2025.09 | 30.6 | 65.8 | |
| ICTP sym2024.05 | 30.84 | 64.54 | |
| MACEEvaluation Mode=re-run2024.05 | 31.15 | 65.22 | |
| ICTP sym+lt2024.05 | 31.32 | 65.36 | |
| NequIP2025.09 | 38.5 | 76.2 | |
| NequIP2026.07 | 38.5 | 76.2 | |
| NequIPCitation Context=[34]2024.05 | 38.52 | 76.18 | |
| BOTNet2026.07 | 39.1 | 81.1 | |
| Allegro2026.07 | 42.57 | 82.96 | |
| Allegro2025.09 | 42.6 | 83 | |
| CACE2024.05 | 58 | 113.8 | |
| CACE2025.09 | 58 | 139.6 | |
| ACE2025.09 | 85.3 | 187 |