Citation

Please cite these papers if you use MiMiC in your work:

  1. J. M. H. Olsen, V. Bolnykh, S. Meloni, E. Ippoliti, M. P. Bircher, P. Carloni, U. Rothlisberger, MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry, J. Chem. Theory Comput. 15, 3810–3823 (2019). DOI: 10.1021/acs.jctc.9b00093

  2. V. Bolnykh, J. M. H. Olsen, S. Meloni, M. P. Bircher, E. Ippoliti, P. Carloni, U. Rothlisberger, Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC, J. Chem. Theory Comput. 15, 5601–5613 (2019). DOI: 10.1021/acs.jctc.9b00424

In addition, in the interest of reproducibility, we ask that you also cite the software as follows (remembering to update the version number and DOI according to the version that was used):

For your convenience here are BibTeX entries that you can use

@article{mimic-1,
  title = {{MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry}},
  author = {Olsen, J{\'o}gvan Magnus Haugaard and Bolnykh, Viacheslav and
            Meloni, Simone and Ippoliti, Emiliano and Bircher, Martin P. and
            Carloni, Paolo and Rothlisberger, Ursula},
  journal = {J. Chem. Theory Comput.},
  volume = {15},
  number = {6},
  pages = {3810--3823},
  month = {jun},
  year = {2019},
  url = {https://doi.org/10.1021/acs.jctc.9b00093},
  doi = {10.1021/acs.jctc.9b00093}
}

@article{mimic-2,
  title = {{Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC}},
  author = {Bolnykh, Viacheslav and Olsen, J{\'o}gvan Magnus Haugaard and
            Meloni, Simone and Bircher, Martin P. and Ippoliti, Emiliano and
            Carloni, Paolo and Rothlisberger, Ursula},
  journal = {J. Chem. Theory Comput.},
  volume = {15},
  number = {10},
  pages = {5601--5613},
  month = {oct},
  year = {2019},
  url = {https://doi.org/10.1021/acs.jctc.9b00424},
  doi = {10.1021/acs.jctc.9b00424}
}

@misc{mimic:0.2.0,
  author = {Olsen, J{\'o}gvan Magnus Haugaard and Bolnykh, Viacheslav and
            Meloni, Simone and Ippoliti, Emiliano and Carloni, Paolo and
            Rothlisberger, Ursula},
  title = {MiMiC: A Framework for Multiscale Modeling in Computational Chemistry (v0.2.0)},
  publisher = {GitLab},
  year = {2022},
  doi = {10.5281/zenodo.7304688},
  note = {See https://mimic-project.org/}
}

@misc{mcl:2.0.1,
  author = {Bolnykh, Viacheslav and Olsen, J{\'o}gvan Magnus Haugaard and
            Meloni, Simone and Ippoliti, Emiliano and Carloni, Paolo and
            Rothlisberger, Ursula},
  title = {MiMiC Communication Library (v2.0.1)},
  publisher = {GitLab},
  year = {2022},
  doi = {10.5281/zenodo.5024023},
  note = {See https://mimic-project.org/}
}