Guess what? By learning from energies and forces, machine learning interatomic potentials can now infer electrical responses like polarization and BECs! This means we can perform MLIP MD simulations under electric fields! arxiv.org/pdf/2504.05169

Long-range machine learning potentials strike again! 🚀 We benchmarked the Latent Ewald Summation method on diverse systems—molecules, solutions, interfaces. Learning just from energy & forces, it delivers the most accurate potential energy surfaces, physical charges, dipoles, and quadrupoles!