cgkmc 0.1.1

Crystal Growth Kinetic Monte Carlo

cgkmc

💎 What is cgkmc?

cgkmc is a package for performing crystal growth simulations using the Kinetic Monte Carlo method. cgkmc's namesake is shorthand for Crystal Growth Kinetic Monte Carlo.

📥 Installation

pip install cgkmc

📃 License

cgkmc is released under the MIT License.

🔖 Citing

If you found this package useful, please cite our work on arXiv:

@misc{cgkmc,
      title={Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate}, 
      author={Jacob Jeffries and Himanshu Singh and Romain Perriot and Christian Negre and Antonio Redondo and Enrique Martinez},
      year={2025},
      eprint={2509.25490},
      archivePrefix={arXiv},
      primaryClass={cond-mat.mtrl-sci},
      url={https://arxiv.org/abs/2509.25490}, 
}

❤️ Acknowledgements

This work was supported by the Laboratory Directed Research and Development program of Los Alamos National Laboratory under project no. 20220431ER. This research used resources provided by the Los Alamos National Laboratory Institutional Computing Program. Los Alamos National Laboratory is operated by Triad National Security, LLC, for the National Nuclear Security Administration of U.S. Department of Energy (contract no. 89233218CNA000001).

Additionally, this material is based on work supported by the National Science Foundation under Grant Nos. MRI# 2024205, MRI# 1725573, and CRI# 2010270 for allotment of compute time on the Clemson University Palmetto Cluster.