Figure6

Figure 6. (A) and (B) The H adsorption sites on a sample of nanoparticles and 2D materials, respectively; (C) The comparison of the adsorption energy prediction results of LERN with the DFT calculation and the benchmark (ALiGNN) results. 2D: Two-dimensional; LERN: local environment input into ResNet; DFT: Density Functional Theory; ALiGNN: Atomistic Line Graph Neural Network.