10. Required Citations
**********************

Please include the following references when you publish results in
the scientific literature that were obtained through the ParAMS
package.

**Always cite**:

* Komissarov, L.; Rüger, R.; Hellström, M.; Verstraelen, T.  ParAMS:
  Parameter Optimization for Atomistic and Molecular Simulations *J.
  Chem. Inf. Model.* **2021**, *61*, 8, 3737-3743 DOI:
  10.1021/acs.jcim.1c00333

* Baerends et al.;  The Amsterdam Modeling Suite *J. Chem. Phys.*
  **2025**, 162, 162501 DOI: 10.1063/5.0258496

If training **ReaxFF** or **DFTB** with **AMS2023 or newer versions**,
please also cite:

* Freitas Gustavo, M., Verstraelen, T. GloMPO (Globally Managed
  Parallel Optimization): a tool for expensive, black-box
  optimizations, application to ReaxFF reparameterizations.  *J.
  Cheminform.* **2022**, *14*, 7.
  https://doi.org/10.1186/s13321-022-00581-z

If using the **parameter sensitivity analysis** in AMS2023+, please
also cite:

* Freitas Gustavo, M., Hellström, M.  Verstraelen, T. Sensitivity
  Analysis for ReaxFF Reparametrization Using the Hilbert−Schmidt
  Independence Criterion.   *J. Chem. Theory Comput.* **2023**, *19*,
  9, 2557-2573. https://doi.org/10.1021/acs.jctc.2c01320

-[ BibTeX ]-

   @article{Komissarov2021,
     doi = {10.1021/acs.jcim.1c00333},
     url = {https://doi.org/10.1021/acs.jcim.1c00333},
     year = {2021},
     month = may,
     publisher = {American Chemical Society ({ACS})},
     author = {Leonid Komissarov and Robert R\"{u}ger and Matti Hellstr\"{o}m and Toon Verstraelen},
     title = {{ParAMS}: Parameter Optimization for Atomistic and Molecular Simulations},
     journal = {Journal of Chemical Information and Modeling}
   }

   @article{Gustavo2022,
     doi = {10.1186/s13321-022-00581-z},
     url = {https://doi.org/10.1186/s13321-022-00581-z},
     year = {2022},
     author = {Michael Freitas Gustavo and Toon Verstraelen},
     title = {GloMPO (Globally Managed Parallel Optimization): a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations},
     journal = {J. Cheminform.}
   }

   @article{Gustavo2023,
     author = {Freitas Gustavo, Michael and Hellström, Matti and Verstraelen, Toon},
     title = {Sensitivity Analysis for ReaxFF Reparametrization Using the Hilbert–Schmidt Independence Criterion},
     journal = {Journal of Chemical Theory and Computation},
     volume = {19},
     number = {9},
     pages = {2557-2573},
     year = {2023},
     doi = {10.1021/acs.jctc.2c01320},
     note = {PMID: 37093657},
     URL = {
             https://doi.org/10.1021/acs.jctc.2c01320
     },
     eprint = {
             https://doi.org/10.1021/acs.jctc.2c01320
     }
   }
