Fig. 3: Benchmark of the short-range and long-range models on systems of molecular dimer.
From: Machine learning of charges and long-range interactions from energies and forces
a A snapshot of the molecular dimer configuration of \({{{\rm{C}}}}_{3}{{{\rm{N}}}}_{3}{{{\rm{H}}}}_{10}^{+}\)/\({{{\rm{C}}}}_{2}{{{\rm{O}}}}_{2}{{{\rm{H}}}}_{3}^{-}\). b The comparison between the true and predicted force components (left panel), and the binding energy curves (the energy difference between the dimer and two isolated monomers) from short-range (SR) and long-range (LR) models. c The predicted charges q from the long-range model. The color bar is in linear scale.
