most citedDensity-Based Long-Range Electrostatic Descriptors for Machine Learning Force Fields

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Density-Based Long-Range Electrostatic Descriptors for Machine Learning Force Fields

Carolin Faller, Merzuk Kaltak, Georg Kresse

This study presents a long-range descriptor for machine learning force fields (MLFFs) that maintains translational and rotational symmetry, similar to short-range descriptors while…