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README.md

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The development of VOTCA is mainly funded by academic research grants. If you
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use this package, please cite the VOTCA papers:
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* Excited-State Electronic Structure of Molecules Using Many-Body Green’s Functions: Quasiparticles and Electron-Hole Excitations with VOTCA-XTP,
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G. Tirimbo, V. Sundaram, O. Caylak, W. Scharpach, J. Sijen, C. Junghans, J. Brown, F. Zapata Ruiz, N. Renaud, J. Wehner, and B. Baumeier,
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ChemRxiv:11477895 (2020).
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* Electronic Excitations in Complex Molecular Environments: Many-Body Green’s
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Functions Theory in VOTCA-XTP Jens Wehner, Lothar Brombacher, Joshua Brown,
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Christoph Junghans, Onur Caylak, Yuriy Khalak, Pranav Madhikar, Gianluca
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Tirimbo, Björn Baumeier J. Chem. Theory Comput. 14, 6353 (2018).
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* Microscopic simulations of charge transport in disordered organic semiconductors
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V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier and D. Andrienko
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J. Chem. Theo. Comp. 7, 3335-3345 (2011)
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* Versatile Object-oriented Toolkit for Coarse-graining Applications,
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V.Ruehle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko,
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J. Chem. Theo. Comp. 5 (12), 3211 (2009)
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* Excited-State Electronic Structure of Molecules Using Many-Body Green’s Functions: Quasiparticles and Electron-Hole Excitations with VOTCA-XTP,
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G. Tirimbo, V. Sundaram, O. Caylak, W. Scharpach, J. Sijen, C. Junghans, J. Brown, F. Zapata Ruiz, N. Renaud, J. Wehner, and B. Baumeier,
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ChemRxiv:11477895 (2020).
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* Electronic Excitations in Complex Molecular Environments: Many-Body Green’s
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Functions Theory in VOTCA-XTP Jens Wehner, Lothar Brombacher, Joshua Brown,
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Christoph Junghans, Onur Caylak, Yuriy Khalak, Pranav Madhikar, Gianluca
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Tirimbo, Björn Baumeier J. Chem. Theory Comput. 14, 6353 (2018).
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* Microscopic simulations of charge transport in disordered organic semiconductors
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V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier and D. Andrienko
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J. Chem. Theo. Comp. 7, 3335-3345 (2011)
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* Versatile Object-oriented Toolkit for Coarse-graining Applications,
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V.Ruehle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko,
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J. Chem. Theo. Comp. 5 (12), 3211 (2009)
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In case of questions, please post them in the google discussion group
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for votca at [here](https://groups.google.com/forum/#!forum/votca)

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