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  1. mizoguchi-correction mizoguchi-correction Public

    Python script for reading a CASTEP coreloss calculation and calculating the transition energy as corrected by Mizoguchi et al (2009)

    Python 1

  2. data.copper-phosphides data.copper-phosphides Public

    This repository accompanies the paper Computational Investigation of Copper Phosphides as Conversion Anodes for Lithium-Ion Batteries by Angela Harper, Matthew Evans & Andrew Morris (arXiv 2005.053…

    Jupyter Notebook 3 2

  3. ml-evs/matador ml-evs/matador Public

    ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.

    Python 29 19