Development of this software depends on academic research grants. If you are using the package, please cite the following papers

Coarse-graining (VOTCA-CSG)
V. Rühle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko, Versatile Object-oriented Toolkit for Coarse-graining Applications, J. Chem. Theory Comput., 2009, 5 (12), pp 3211–3223

Charge Transport (VOTCA-CTP)
V. Rühle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko, Microscopic simulations of charge transport in disordered organic semiconductors, J. Chem. Theory Comput., 2011, 7, 3335-3345

Contributed features
Hybrid force-matching approaches: V. Rühle and C. Junghans, Hybrid approaches to coarse-graining using the VOTCA package: liquid hexane, Macromol. Theory Simul. 20(7), pp. 472–477, (2011)
Subpages (1): Using VOTCA
Christoph Junghans,
Jul 21, 2011, 5:48 AM