#

mechanochemistry

Here is 1 public repository matching this topic...

ElsevierSoftwareX / SOFTX-D-21-00140

This module includes functions that can be used to simulate mechanochemical phenomena. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021001436

molecular-simulation quantum-chemistry potential-energy-surfaces atomic-simulation-environment mechanochemistry

Updated Oct 5, 2021
Python

Improve this page

Add a description, image, and links to the mechanochemistry topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the mechanochemistry topic, visit your repo's landing page and select "manage topics."