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ResearchFormerly WizWand

Interatomic Potential Prediction on 3BPA 600 K

8.1Energy RMSE (meV)TACE
7.46411.75716.0520.343May 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)=frequency2025.098.119.88
SpinGTP2026.079.621
MACECitation Context=[33]2024.059.721.8
MACE2025.099.721.8
MACE2026.079.721.8
ICTP sym+lt2024.0510.2923.03
ICTP sym2024.0510.3822.87
MACE-Gaunt2026.0710.622.2
ICTP full2024.0510.7422.99
MACEEvaluation Mode=re-run2024.0511.1123.27
NequIPCitation Context=[34]2024.0511.1626.37
NequIP2025.0911.226.4
NequIP2026.0711.226.4
BOTNet2026.0711.526.7
TACECorrelation order=2, Representation (sph/cart)=Cartesian, Domain (spa/spe)=frequency2025.0911.623.4
TACECorrelation order=2, Representation (sph/cart)=spherical, Domain (spa/spe)=spatial2025.0911.724.1
Allegro2026.0712.0729.17
Allegro2025.0912.129.2
TACECorrelation order=2, Representation (sph/cart)=Cartesian, Domain (spa/spe)=spatial2025.0912.923.8
CACE2024.051845.2
CACE2025.091845.2
ACE2025.092464.3