Fig. 2: Density functional theory (DFT) calculations required for model training.
From: Machine learned interatomic potentials for ternary carbides trained on the AFLOW database
Number of DFT single-point energy evaluations performed during the generation of the robust (top) and accurate (bottom) potentials according to the procedure illustrated in Fig. 1 for each ternary carbide system at a particular MTP level (see legend).
