Table 3 Test root mean squared errors (RMSE) are reported for energies (E) in meV/atom, forces (F)in meV/Å for different models with cutoffs rcut
From: Machine learning of charges and long-range interactions from energies and forces
DPSR | DPLR | CACE-SR | CACE-LR | ||
|---|---|---|---|---|---|
rcut | - | 5.5 Å | 5.5 Å | 5.5 Å | |
Pt(111)/KF(aq) | E | - | 1.305 | 0.863 | 0.309 |
F | - | 75.00 | 58.6 | 34.1 | |
rcut | 6 Å | 6 Å | 5.5 Å | 5.5 Å | |
TiO2(101)/NaCl+NaOH+HCl(aq) | E | 0.88 | 0.79 | 0.721 | 0.435 |
F | 124 | 119 | 103 | 70.5 |
