Interatomic Potential Prediction on Au2-MgO (test)
0.062Energy 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 | 0.062 | 8.13 | — | |
| 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 | 0.064 | 9.472 | — | |
| SPOOKYNET2022.05 | 0.107 | 5.337 | 1.013 | |
| 4G-BPNN2022.05 | 0.219 | 66 | — | |
| 2G-BPNN2022.05 | 2.287 | 153.1 | 5.698 |