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ResearchFormerly WizWand

Interatomic Potential Prediction on 3BPA 1200 K

23.42Energy RMSE (meV)TACE
20.944837.652454.3671.0676May 23, 2024Sep 28, 2024Feb 3, 2025Jun 11, 2025Oct 17, 2025Feb 22, 2026Jul 1, 2026
Updated 4mo ago

Evaluation results

MethodLinks
TACECorrelation order=3, Representation (sph/cart)=Cartesian, Domain (spa/spe)=frequency2025.0923.4254.26
SpinGTP2026.072961.4
TACECorrelation order=2, Representation (sph/cart)=Cartesian, Domain (spa/spe)=frequency2025.0929.760.5
ICTP full2024.0529.862.82
MACECitation Context=[33]2024.0529.862
MACE2025.0929.862
MACE2026.0729.862
TACECorrelation order=2, Representation (sph/cart)=spherical, Domain (spa/spe)=spatial2025.0930.463.8
MACE-Gaunt2026.0730.463.1
TACECorrelation order=2, Representation (sph/cart)=Cartesian, Domain (spa/spe)=spatial2025.0930.665.8
ICTP sym2024.0530.8464.54
MACEEvaluation Mode=re-run2024.0531.1565.22
ICTP sym+lt2024.0531.3265.36
NequIP2025.0938.576.2
NequIP2026.0738.576.2
NequIPCitation Context=[34]2024.0538.5276.18
BOTNet2026.0739.181.1
Allegro2026.0742.5782.96
Allegro2025.0942.683
CACE2024.0558113.8
CACE2025.0958139.6
ACE2025.0985.3187