Interatomic Potential Prediction on Na8/9Cl8+ (test)
0.455Energy RMSE (meV/atom)SO3KRATES
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SO3KRATESnon-local=false, F=132, nlayers=6, rcut (Å)=5, lmax=3, geom. corr.=True/False, spherical filter=true, beta=0.99, epochs=1k, Bs=1002022.05 | 0.455 | 3.126 | — | |
| SO3KRATESnon-local=true, F=132, nlayers=6, rcut (Å)=5, lmax=3, geom. corr.=True/False, spherical filter=true, beta=0.99, epochs=1k, Bs=1002022.05 | 0.474 | 3.316 | — | |
| SPOOKYNET2022.05 | 1.052 | 1.052 | 0.111 | |
| 2G-BPNN2022.05 | 1.692 | 57.39 | 20.8 | |
| 3G-BPNN2022.05 | 2.042 | 76.67 | 1.323 | |
| 4G-BPNN2022.05 | 32.78 | 15.82 | — |