Fig. 2: Performance on test datasets. | npj Computational Materials

Fig. 2: Performance on test datasets.

From: A pre-trained deep potential model for sulfide solid electrolytes with broad coverage and high accuracy

Fig. 2

a, b Mean absolute errors (MAEs) of energy and force near equilibrium, compared to DFT calculations on the test datasets. Each color corresponds to one of the 41 distinct training systems. c, d Energy and force MAEs of DPA-SSE on heating trajectories of representative sulfide electrolytes from 150 K to 1150 K. For comparison, results from universal force fields fine-tuned on the DPA-SSE dataset are also shown.

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