Logo VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge transport in disordered semiconductors. Its C++ core is interfaced to bash and perl flow-control scripts.

The package is free and can be downloaded from google code (VOTCA and VOTCA-CTP projects)

Project development is mainly funded by academic research grants. If you use the VOTCA-CSG or VOTCA-CTP packages, please cite:

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

Microscopic simulations of charge transport in disordered organic semiconductors,
V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko,
J. Chem. Theory Comput., 2011, 7 (10), pp. 3335-3345