diff --git a/README.md b/README.md index 4e92cf2..0976cff 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,5 @@ # Background -This repository accompanies the publication XYZ. +This repository accompanies the publication **_Low-cost Descriptors of Electrostatic and Electronic Contributions to Anion Redox Activity in Batteries_**. # Inventory **[Notebook 1: Classical Electrostatic Analysis](https://github.com/FaradayInstitution/redox_descriptors/blob/master/Notebooks/Notebook_1-madelung_analysis.ipynb)** @@ -23,3 +23,6 @@ This repository accompanies the publication XYZ. - config files for sumo DOS plotting code (`custom_colors.conf`, `custom.mplstyle`). - `matplotlibrc` - Matplotlib config file used to generate plots (set `text.usetex: False` if LaTeX not installed). +# Requirements +To run the jupyter notebooks, you will need the Python packages Scipy, Numpy, Matplotlib and Pymatgen. Pymatgen depends on the rest so just `pip install pymatgen`. +