McCoyGroup/ionic_water_mobml-nn_potential

This is the GitHub repo to support the manuscript "Machine Learning Approaches for Developing Potential Surfaces: Applications to OH−(H2O)n (n = 1 − 3) Complexes"

Language: Jupyter Notebook - Size: 3.54 MB - Last synced at: about 11 hours ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0