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VOTCA specifications


Unique identifier OMICS_32704
Alternative name Versatile Object-Oriented Toolkit for Coarse-Graining Applications
Software type Toolkit/Suite
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages C++, Perl, Shell (Bash)
License Apache License version 2.0
Computer skills Advanced
Stability Stable
Maintained Yes
Availability Yes
Wikipedia https://en.wikipedia.org/wiki/VOTCA




No version available


  • person_outline Denis Andrienko
  • person_outline Christoph Junghans
  • person_outline Björn Baumeier

Publications for Versatile Object-Oriented Toolkit for Coarse-Graining Applications

VOTCA citations


Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many Body Green’s Functions Theory

J Chem Theory Comput
PMCID: 5390308
PMID: 28234472
DOI: 10.1021/acs.jctc.6b00935

[…] on of the active space in GW-BSE, and, for optically active singlets, a change to classical transition density-based interaction models at larger distances. All developed methods are available within VOTCA software package. […]


Relative Entropy and Optimization Driven Coarse Graining Methods in VOTCA

PLoS One
PMCID: 4507862
PMID: 26192992
DOI: 10.1371/journal.pone.0131754

[…] N). The performance of the grid search decreases with an increasing cut-off, since each cell in the grid will hold more particles, whereas the cost of the simple search does not depend on the cut-off.VOTCA supports both the neighbor list algorithms, and the user is given a choice to select one of them.For the performance analysis, we study three different LJ systems with different sizes: the small […]


Chemically Specific Multiscale Modeling of Clay–Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self Assembly and Emergent Materials Properties

PMCID: 4368376
PMID: 25488829
DOI: 10.1002/adma.201403361

[…] c problem, but are limited in reusability and flexibility when compared to publicly released software packages. As a result, a number of general packages have been released for coarse-graining (e.g., VOTCA[] and MagiC[]) and for coupling models in general (e.g., MUSCLE[] and FeniCS.[]) These approaches are flexible, but require considerable domain and technical expertise to solve specific multisca […]


Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors

J Chem Theory Comput
PMCID: 3210523
PMID: 22076120
DOI: 10.1021/ct200388s

[…] The toolkit is implemented using modular concepts introduced earlier in the versatile object-oriented toolkit for coarse-graining applications (VOTCA).() The VOTCA structures are adapted to reading atomistic trajectories, mapping them onto conjugated segments and rigid fragme […]


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VOTCA institution(s)
Max Planck Institute for Polymer Research, Mainz, Germany
VOTCA funding source(s)
Supported by DFG via IRTG program between Germany and Korea, DFG grant AN 680/1-1 and by the Multiscale Modeling Initiative of the Max Planck Society, POLYMAT graduate program and Eurosim Early Stage Training project of Marie Curie actions.

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