most citedA neural-network-backed effective harmonic potential study of the ambient pressure phases of hafnia

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physics.comp-ph2021

A Differentiable Neural-Network Force Field for Ionic Liquids

Hadrián Montes-Campos, Jesús Carrete, Sebastian Bichelmaier +2

We present NeuralIL, a model for the potential energy of an ionic liquid that accurately reproduces first-principles results with orders-of-magnitude savings in computational cost.…