Research data supporting "Learning classical density functionals for ionic fluids"

This repository contains the research data supporting the manuscript

"Learning classical density functionals for ionic fluids".

Authors: Bui, Anna; Cox, Stephen

Paper published at: Phys. Rev. Lett

Preprint: https://arxiv.org/abs/2410.02556

It contains the training data for Keras models for the neural density functionals of the mimic short-range fluids for the RPM, the size-asymmetric PM and the multivalent 2:1 PM.

For detailed information of the dataset and models, please refer to the README.md files in the sub-directories and the Supplemental Material of the manuscript.

For script to train the models and do cDFT calculations, see:

https://github.com/annatbui/ion-cdft