=========
Citations
=========

Please, if you use any code, try to check if you have cited all literature.

JKCS
----

When you use any JKCS command, please, cite the following paper that basically introduced JKCS to the world:

.. tabs::

   .. tab:: kubecka19

      Kubečka, J.; Besel, V.; Kurtén, T.; Myllys, N.; Vehkamäki, H. Configurational Sampling of Noncovalent (Atmospheric) Molecular Clusters: Sulfuric Acid and Guanidine. *J. Phys. Chem. A* **2019**, *123*, 6022–6033. https://doi.org/10.1021/acs.jpca.9b03853

   .. tab:: BibTeX

      .. code:: none
      
         @article{kubecka19,
           author = {J. Kube{\v c}ka and V. Besel and T. Kurt{\'e}n and N. Myllys and H. Vehkam{\"a}ki}, 
           title = {Configurational Sampling of Noncovalent (Atmospheric) Molecular Clusters: Sulfuric Acid and Guanidine},
           journal = {J. Phys. Chem. A}, 
           year = {2019}, 
           volume = {123}, 
           pages = {6022--6033}, 
           doi = {https://doi.org/10.1021/acs.jpca.9b03853},
         }
   

JKQC
----

JKQC come together with our first machine learning methods, hence please cite: 

.. tabs::

   .. tab:: kubecka22
   
      Kubečka, J.; Christiansen, A. S.; Rasmussen, F. R.; Elm, J. Quantum Machine Learning Approach for Studying Atmospheric Cluster Formation. *Environ. Sci. Technol. Lett.* **2022**, *9(3)*, 239–244.

   .. tab:: BibTeX

      .. code:: none
      
         @article{kubecka22,
           author = {J. Kube{\v c}ka and A. S. Christensen and F. R. Rasmussen and J. Elm}, 
           title = {Quantum Machine Learning Approach for Studying Atmospheric Cluster Formation},
           journal = {Environ. Sci. Technol. Lett.}, 
           year = {2022}, 
           volume = {9}, 
           pages = {239--244}, 
           number = {3},
           doi = {https://doi.org/10.1021/acs.estlett.1c00997},
         }

JKML
----

When you use JKML, please cite:

.. tabs::

   .. tab:: kubecka22
   
      Kubečka, J.; Christiansen, A. S.; Rasmussen, F. R.; Elm, J. Quantum Machine Learning Approach for Studying Atmospheric Cluster Formation. *Environ. Sci. Technol. Lett.* **2022**, *9(3)*, 239–244.

   .. tab:: BibTeX

      .. code:: none
      
         @article{kubecka22,
           author = {J. Kube{\v c}ka and A. S. Christensen and F. R. Rasmussen and J. Elm}, 
           title = {Quantum Machine Learning Approach for Studying Atmospheric Cluster Formation},
           journal = {Environ. Sci. Technol. Lett.}, 
           year = {2022}, 
           volume = {9}, 
           pages = {239--244}, 
           number = {3},
           doi = {https://doi.org/10.1021/acs.estlett.1c00997},
         }

QML
===

If you use kernel ridge regression (KRR) with the FCHL19 molecular representation, cite also the following:

.. tabs::

   .. tab:: qml,christiansen20
   
      Christensen, A. S.; Faber, F. A.; Huang, B.; Bratholm, L. A.; Tkatchenko, A.; Muller, K. R.; von Lilienfeld, O. A. QML: A Python Toolkit for Quantum Machine Learning. **2017**; https://github.com/qmlcode/qml (*accessed February 7, 2023*).
   
      Christensen, A. S.; Bratholm, L. A.; Faber, F. A.; von Lilienfeld, O. A. FCHL Revisited: Faster and More Accurate Quantum Machine Learning. *J. Chem. Phys.* **2020**, *152*, 044107.

   .. tab:: BibTeX

      .. code:: none
      
         @misc{qml,
           author = {A. S. Christensen and F. A. Faber and B. Huang and L. A. Bratholm and A. Tkatchenko and K. R. Muller and O. A. von Lilienfeld},
           title = {{QML}: {A} {P}ython Toolkit for Quantum Machine Learning},
           year = {2017},
           note = {\url{https://github.com/qmlcode/qml} (accessed February 7, 2023)}
         }
         @article{christensen20,
           author = {A. S. Christensen and L. A. Bratholm and F. A. Faber and O. A. {von Lilienfeld}}, 
           title = {{FCHL} Revisited: {F}aster and More Accurate Quantum Machine Learning},
           journal = {J. Chem. Phys.}, 
           year = {2020}, 
           volume = {152}, 
           pages = {044107}, 
           doi = {https://doi.org/10.1063/1.5126701},
         }

NN
==

TBC

JKacdc
------

You should cite the Pearl code itself and also the repository of T. Olenius. These codes were modified and inspired the JKacdc code:

.. tabs::

   .. tab:: mcgrath12,acdc

      McGrath, M. J.; Olenius, T.; Ortega, I. K.; Loukonen, V.; Paasonen, P.; Kurtén, T.; Kulmala, M.; Vehkamäki, H. Atmospheric Cluster Dynamics Code: a flexible method for solution of the birth-death equations. *Atmos. Chem. Phys.* **2012**, *12(5)*, 2345–2355.

      Olenius T. ACDC: Atmospheric Cluster Dynamics Code. **2023**; https://github.com/tolenius/ACDC (*accessed February 7, 2023*).

   .. tab:: BibTeX

      .. code:: none 
      
         @article{mcgrath12,
           author = {McGrath, M. J. and Olenius, T. and Ortega, I. K. and Loukonen, V. and Paasonen, P. and Kurt{\'e}n, T. and Kulmala, M. and Vehkam{\"a}ki, H.},
           title = {Atmospheric Cluster Dynamics Code: a flexible method for solution of the birth-death equations},
           journal = {Atmos. Chem. Phys.},
           volume = {12},
           year = {2012},
           number = {5},
           pages = {2345--2355},
           doi = {https://doi.org/10.5194/acp-12-2345-2012}
         }
         @misc{acdc,
           author = {T. Olenius},
           title = {ACDC: Atmospheric Cluster Dynamics Code},
           year = {2023},
           note = {\url{https://github.com/tolenius/ACDC} (accessed February 7, 2023)}
         }