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Understanding the dielectric relaxation of liquid water using neural network potential and classical pairwise potential
Jae Hyun Ryu, Ji Woong Yu, Tae Jun Yoon*, Won Bo Lee*
MLFFWater
Abstract
The dielectric relaxation of liquid water is compared across neural network potentials and classical pairwise potentials via molecular dynamics. The two force field families differ in their reproduction of the frequency-dependent dielectric spectrum.