Efficient determination of accurate force fields for porous materials using ab initio total energy calculations. Kim, J., Lin, L., Lee, K., Neaton, J. B, & Smit, B. The Journal of Physical Chemistry C, 118(5):2693–2701, American Chemical Society, 2014.
bibtex   
@article{kim2014efficient,
  title={Efficient determination of accurate force fields for porous materials using ab initio total energy calculations},
  author={Kim, Jihan and Lin, Li-Chiang and Lee, Kyuho and Neaton, Jeffrey B and Smit, Berend},
  journal={The Journal of Physical Chemistry C},
  volume={118},
  number={5},
  pages={2693--2701},
  year={2014},
  publisher={American Chemical Society}
}

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