Further information on VOTCA can be found at http://www.votca.org

The development of VOTCA is mainly funded by academic research grants. If you use this package, please cite the following VOTCA papers:

• Long-range embedding of molecular ions and excitations in a polarizable molecular environment,
  C. Poelking, D. Andrienko,
  J. Chem. Theo. Comp. 12, 4516-4523 (2016).

• Modeling of spatially correlated energetic disorder in organic semiconductors,
  P. Kordt, D. Andrienko,
  J. Chem. Theory Comput., 12, 36-40 (2016)

• Microscopic simulations of charge transport in disordered organic semiconductors,
  V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier and D. Andrienko,
  J. Chem. Theo. Comp. 7, 3335-3345 (2011)

• Extracting nondispersive charge carrier mobilities of organic semiconductors from simulations of small systems,
  A. Lukyanov, D. Andrienko,
  Phys. Rev. B, 82, 193202 (2010)

• Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies,
  B. Baumeier, J. Kirkpatrick, and D. Andrienko,
  Phys. Chem. Chem. Phys. 12, 11103 (2010)

• Versatile Object-oriented Toolkit for Coarse-graining Applications,
  V. Ruehle, C. Junghans, A. Lukyanov, K. Kremer, and D. Andrienko,
  J. Chem. Theo. Comp. 5 (12), 3211 (2009).

• An approximate method for calculating transfer integrals based on the ZINDO Hamiltonian,
  James Kirkpatrick,
  Int. J. Quantum Chem. 108, 51 (2007)

In case of questions, please post them in the google discussion group for votca at http://groups.google.com/group/votca-ctp

You can contact the VOTCA Development Team at [email protected].