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1. aimd aimd Public

   script files for ab initio molecular dynamics

   Python

2. cp2k_ML cp2k_ML Public

   python scripts for using cp2k with machine-learning

   Python 1

3. dos_analyzer dos_analyzer Public

   Tools to analyze the density of state (DOS) calculated with ab initio calculation.

   Python 1

4. electrolyte electrolyte Public

   Python script for PCCP 2020.

   Python

5. microkinetic_toolkit_public microkinetic_toolkit_public Public

   Python 3

6. dft_gan dft_gan Public

   Combined use of DFT, microkinetics, and GAN. The paper is https://www.nature.com/articles/s41598-022-15586-9

   Python 1 1