The Latent Ewald Summation (LES) method, which 'infers electrostatic interactions, polarization, and Born effective charges (BECs), just by learning from energy and force training data'.
Papers
A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials
Dongjin Kim, Xiaoyu Wang, Peichen Zhong, Daniel S. King, Theo Jaffrelot Inizan, Bingqing Cheng
July 18, 2025