roytu/ml-dft-hubbard

A re-implementation of the paper "Machine learning density functional theory for the Hubbard model"

ml-dft-hubbard

A re-implementation of the paper "Machine learning density functional theory for the Hubbard model": https://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.075132

To run:

conda env create -f environment.yml
conda activate compchem
python hubbard.py

Other Papers

The convention for the basis states is from:

https://arxiv.org/pdf/1204.3425.pdf