Fig. 6: RMSE of forces of 7.34° AB MoS2 in different temperatures and stresses.
From: DPmoire: a tool for constructing accurate machine learning force fields in moiré systems
a RMSE under different temperatures. For each data point, we sampled 10 structures evenly from 1-ps MLFF-MD simulation to calculate the error. b RMSE under different stresses. For each data point, we sampled 10 structures evenly from the relaxation trajectories. Stresses in the z-direction are applied by imposing forces on the top and bottom sulfur atoms.
