# About
kMCpy code has been developed at [CaRe group at the National University of Singapore](https://caneparesearch.org/news/), Singapore (currently at University of Houston, USA) and currently maintained by [DENG group at the National University of Singapore](https://matsci.dev), Singapore. Please consult the section below for information on how to cite kMCpy. Please submit bug and feature request via the [GitHub issue tracker](https://github.com/caneparesearch/kMCpy/issues).
# How to cite
Please cite kMCpy and its implemented methods in your research, we kindly ask you cite the relevant publications:

    @article{deng2022fundamental,
          title={Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes},
          author={Deng, Zeyu and Mishra, Tara P and Mahayoni, Eunike and Ma, Qianli and Tieu, Aaron Jue Kang and Guillon, Olivier and Chotard, Jean-No{\"e}l and Seznec, Vincent and Cheetham, Anthony K. and Masquelier, Christian and Gautam, Gopalakrishnan Sai and Canepa, Pieremanuele},
          journal={Nature Communications},
          volume={13},
          number={1},
          pages={1--14},
          year={2022},
          publisher={Nature Publishing Group}
        }

    @article{deng2023kmcpy,
          title = {kMCpy: A python package to simulate transport properties in solids with kinetic Monte Carlo},
          journal = {Computational Materials Science},
          volume = {229},
          pages = {112394},
          year = {2023},
          issn = {0927-0256},
          doi = {https://doi.org/10.1016/j.commatsci.2023.112394},
          url = {https://www.sciencedirect.com/science/article/pii/S0927025623003889},
          author = {Zeyu Deng and Tara P. Mishra and Weihang Xie and Daanyal Ahmed Saeed and Gopalakrishnan Sai Gautam and Pieremanuele Canepa},
          }