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

Coarse-graining (VOTCA-CSG 1.3)
S.Y. Mashayak, M. Jochum, K. Koschke, N.R. Aluru, V. Ruehle, and C. Junghans, Relative entropy and optimization-driven coarse-graining methods in VOTCA,  PLoS one 10, e131754 (2015)

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

Excitation Transport (VOTCA-XTP)
Electronic Excitations in Complex Molecular Environments: Many-Body Green’s Functions Theory in VOTCA-XTP Jens Wehner, Lothar Brombacher, Joshua Brown, Christoph Junghans, Onur Caylak, Yuriy Khalak, Pranav Madhikar, Gianluca Tirimbo, Björn Baumeier J. Chem. Theory Comput. 14, 6353 (2018).

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