Zeolite Simulation Environment

The Zeolite Simulation Environment (ZSE) is a package to automate zeolite structure generation and characterization for computational chemistry.

This is a fork of the original ZSE package by Jerry T. Crum and Justin R. Crum. My contributions were the following modules as well as general cleanup:

• maker.py
• rmc.py and rmc_utilities.py

Installation

pip install git+https://github.com/Quantum-Accelerators/zse.git

Authors

Original authors: Jerry T. Crum, Justin R. Crum

Updated by: Andrew S. Rosen

Citation

If you use ZSE in your work, cite the original ZSE paper.