The Journal of chemical physics
A physics-informed long-range polarizable potential based on deep learning.
Z Li, S Scandolo
Published: 202610.1063/5.0292167
Abstract
Machine-learning-based interatomic potentials are widely employed in atomistic simulations, but they struggle to capture long-range electrostatic correlations, which are ubiquitous in polar and biomolecular systems. We present a physics-informed mach…
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