Citing MISPR¶

@article{atwi2022mispr,
  title        = {MISPR: An automated infrastructure for high-throughput DFT and MD simulations},
  author       = {Atwi, Rasha and Bliss, Matthew and Makeev, Maxim and Rajput, Nav Nidhi},
  year         = {2022}
}

@article{atwi2022automated,
  title        = {An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions},
  author       = {Atwi, Rasha and Chen, Ying and Han, Kee Sung and Mueller, Karl T and Murugesan, Vijayakumar and Rajput, Nav Nidhi},
  journal      = {Nature Computational Science},
  volume       = {2},
  number       = {2},
  pages        = {112--122},
  year         = {2022},
  publisher    = {Nature Publishing Group}
}