@article{mundim_ellis_1999,  title={Stochastic classical molecular dynamics coupled to functional density theory: applications to large molecular systems},  volume={29},  ISSN={0103-9733},  url={https://doi.org/10.1590/S0103-97331999000100018},  DOI={10.1590/S0103-97331999000100018},  number={1},  journal={Brazilian Journal of Physics},  publisher={Sociedade Brasileira de Física},  author={Mundim, K. C. and Ellis, D. E.},  year={1999},  month={Mar},  pages={199–214} }