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VOTCA.ORG

VOTCA project page

Is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining. Used for simulating microscopic charge transport. In disordered semiconductors. Its C core is interfaced to bash and perl flow-control scripts. Find us on Google. Boltzmann Inversion for bonded potentials. Charge Transport toolkit (VOTCA-CTP). Molecular Orbital Overlap code. Kinetic Monte Carlo code. Evaluation of energetic disorder and rates. Xtc, trr, tpr (.

http://www.votca.org/

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CONTACTS AT VOTCA.ORG

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VOTCA project page | votca.org Reviews
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Is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining. Used for simulating microscopic charge transport. In disordered semiconductors. Its C core is interfaced to bash and perl flow-control scripts. Find us on Google. Boltzmann Inversion for bonded potentials. Charge Transport toolkit (VOTCA-CTP). Molecular Orbital Overlap code. Kinetic Monte Carlo code. Evaluation of energetic disorder and rates. Xtc, trr, tpr (.
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1 search this site
2 welcome
3 news
4 documentation
5 coarse graining
6 cgoptions
7 mapping
8 programs
9 scripts
10 charge transport
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search this site,welcome,news,documentation,coarse graining,cgoptions,mapping,programs,scripts,charge transport,download,tutorials,development,votca csg,votca ctp,citations,using votca,votca,techniques,as well as,methods,coarse graining toolkit votca csg
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VOTCA project page | votca.org Reviews

https://votca.org

Is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining. Used for simulating microscopic charge transport. In disordered semiconductors. Its C core is interfaced to bash and perl flow-control scripts. Find us on Google. Boltzmann Inversion for bonded potentials. Charge Transport toolkit (VOTCA-CTP). Molecular Orbital Overlap code. Kinetic Monte Carlo code. Evaluation of energetic disorder and rates. Xtc, trr, tpr (.

INTERNAL PAGES

votca.org votca.org
1

scripts - VOTCA project page

http://www.votca.org/Documentation/coarse-graining/reference-scripts

Prepare generic single.sh. Prepare generic single.sh. Prepare generic single.sh. Prepare optimizer single.sh. Initialize step generic.sh. Initialize step generic.sh. Initialize step generic.sh. Initialize step optimizer.sh. Add pot generic.sh. Add pot generic.sh. Add pot generic.sh. RDF to POT.pl. Post update generic.sh. Post update generic.sh. Post update generic.sh. Post update generic single.sh. Post update generic single.sh. Post update generic single.sh. Dpot shift nb.pl. Post add single.sh. Potenti...

2

Development - VOTCA project page

http://www.votca.org/development

The core development is currently taking place at. Max Planck Institute for Polymer Research, Mainz, Germany. Los Alamos National Laboratory, Los Alamos, NM, USA. TU/e Eindhoven, Eindhoven, the Netherlands. Beckman Institute, Urbana, IL, USA. Former locations of development:. University of Oxford, Oxford, UK. University of Cambridge, Cambridge, UK. Technische Universität Darmstadt, Darmstadt, Germanny. University of Bath, Bath, UK.

3

Coarse-graining - VOTCA project page

http://www.votca.org/Documentation/coarse-graining

We provide several ways to learn how to use the program. The manual is available on github. Take a look at the reference section of the progams. Also see the reference section of the mapping xml. A set of tutorials can be found on github. For discussions, join the google group at http:/ groups.google.com/group/votca. If you want to submit a bug or request a feature, please check the issue tracker on github. Recent changes can be found in the news section. API Documentation can be found here.

4

Report Abuse

http://www.votca.org/system/app/pages/reportAbuse

By submitting this form, you are alerting the Google Sites team that this site has content that is in violation of our Terms of Use. Why are you reporting the content on this Site as inappropriate? This Site contains spam. This Site contains phishing. This Site contains malware. This Site contains sexually explicit material (like pornography or nudity). This Site contains content that is harassing me or someone else. This Site promotes violence or has hate speech.

5

Citations - VOTCA project page

http://www.votca.org/citations

Development of this software depends on academic research grants. If you are using the package, please cite the following papers. 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). V Rühle and C. Junghans, Hybrid approaches to coarse-graining using the VOTCA package: liquid hexane, Macromol. Theory Simul. 20(7). Jul 21, 2011, 5:48 AM.

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trr146.de trr146.de

TRR 146 – Project B2

https://www.trr146.de/en/projects/26

B2: Many-body effects and optimized mapping schemes for systematic coarse-graining. The growing number of coarse-grained models of complex fluids has taught us that the many-body contributions are intrinsic for coarse-grained representations and cannot be neglected if one wants to quantitatively reproduce thermodynamic and structural properties of the system. The goal of this proposal is to extend the existing coarse-graining procedures and statistical samplers to many-body basis functions. The p...

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votca.org votca.org

VOTCA project page

Is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining. Used for simulating microscopic charge transport. In disordered semiconductors. Its C core is interfaced to bash and perl flow-control scripts. Find us on Google. Boltzmann Inversion for bonded potentials. Charge Transport toolkit (VOTCA-CTP). Molecular Orbital Overlap code. Kinetic Monte Carlo code. Evaluation of energetic disorder and rates. Xtc, trr, tpr (.

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