Fig. 12. We demonstrate that EDNNs can be used to make an energy prediction of a two-dimensional 35.2 million atom system, over 1.0 μm2 of material, at an accuracy comparable to density functional theory, in under 25 minutes. Additionally, the evaluation of the neural network scales linearly with the number of atoms (assuming relatively homogeneous density), so this evaluation-time estimate can be driven lower with wider hardware configurations. Such a system exists on a length scale visible with optical microscopy and larger than some living organisms.
