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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

TRAVIS, which stands for Trajectory Analyzer and Visualizer, is a software tool which can compute a plethora of functions and histograms from molecular dynamics and Monte Carlo simulation trajectories. I am the main developer of the TRAVIS program package.

Please visit the TRAVIS website: www.travis-analyzer.de

In April 2020, our new open access article on TRAVIS has been published. It describes many of the new features and algorithms which have been added to TRAVIS within the last nine years. Please have a look:

M. Brehm, M. Thomas, S. Gehrke, B. Kirchner:
“TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation”,
J. Chem. Phys. 2020, 152 (16), 164105, DOI 10.1063/5.0005078.

Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018).


— Work Citing TRAVIS —

Only showing results by author “Weber, H.”. Show all citations.

Go to Author List, go to Journal List.

9 citations match the query.  Show continuous list view.

— 2017 —

9 J. Kiefer, K. Noack, T. C. Penna, M. C. C. Ribeiro, H. Weber, B. Kirchner:
"Vibrational Signatures of Anionic Cyano Groups in Imidazolium Ionic Liquids"
Vib. Spectrosc. 2017, 91, 141–146.     (DOI 10.1016/j.vibspec.2016.05.004 ) ⭳ Bib
Uses TRAVIS for Power, Spec.

— 2016 —

8 H. Weber, B. Kirchner:
"Ionic Liquid Induced Band Shift of Titanium Dioxide"
ChemSusChem 2016, 9 (17), 2505–2514.     (DOI 10.1002/cssc.201600844 ) ⭳ Bib
Uses TRAVIS.

— 2015 —

7 O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner:
"Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures"
ChemPhysChem 2015, 16 (15), 3325–3333.     (DOI 10.1002/cphc.201500473 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
6 M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner:
"Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids"
ChemPhysChem 2015, 16 (15), 3271–3277.     (DOI 10.1002/cphc.201500471 ) ⭳ Bib
Uses TRAVIS for RDF, Domain.
5 H. Weber, M. Salanne, B. Kirchner:
"Toward an Accurate Modeling of Ionic Liquid–TiO2 Interfaces"
J. Phys. Chem. C 2015, 119 (45), 25260–25267.     (DOI 10.1021/acs.jpcc.5b08538 ) ⭳ Bib
Uses TRAVIS for CDF, DProf.

— 2014 —

4 S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. B. C. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner:
"Understanding Ionic Liquids from Theoretical Methods"
J. Mol. Liq. 2014, 192, 71–76.     (DOI 10.1016/j.molliq.2013.08.015 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.

— 2013 —

3 M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner:
"Liquid Structure and Cluster Formation in Ionic Liquid/Water Mixtures – An Extensive ab initio Molecular Dynamics Study on 1-Ethyl-3-methylimidazolium Acetate/Water Mixtures – Part 2"
Z. Phys. Chem. 2013, 227 (2-3), 177–204.     (DOI 10.1524/zpch.2012.0327 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, 3D CDF.
2 H. Weber, O. Hollóczki, A. S. Pensado, B. Kirchner:
"Side Chain Fluorination and Anion Effect on the Structure of 1-Butyl-3-methylimidazolium Ionic Liquids"
J. Chem. Phys. 2013, 139 (8), 84502.     (DOI 10.1063/1.4818540 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF.

— 2012 —

1 M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner:
"Proton Transfer and Polarity Changes in Ionic Liquid–Water Mixtures: A Perspective on Hydrogen Bonds from ab initio Molecular Dynamics at the Example of 1-Ethyl-3-methylimidazolium Acetate–Water Mixtures—Part 1"
Phys. Chem. Chem. Phys. 2012, 14 (15), 5030.     (DOI 10.1039/c2cp23983c ) ⭳ Bib
Uses TRAVIS for RDF, CDF.


— Author List —

Only showing results by author “Weber, H.”. Show all citations.

Go to Article List, go to Journal List.

21 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Kirchner, B.
9(show)Weber, H.
5(show)Brehm, M.
4(show)Hollóczki, O.
4(show)Pensado, A. S.
3(show)Stark, A.
2(show)Thomas, M.
1(show)Brüssel, M.
1(show)Kiefer, J.
1(show)Kohagen, M.
1(show)Lehmann, S. B. C.
1(show)Macchiagodena, M.
1(show)Malberg, F.
1(show)Noack, K.
1(show)Penna, T. C.
1(show)Ribeiro, M. C. C.
1(show)Russina, O.
1(show)Salanne, M.
1(show)Schöppke, M.
1(show)Triolo, A.
1(show)Zahn, S.

— Journal List —

Only showing results by author “Weber, H.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 8 different journals.

CitationsJournal Name
2(show)ChemPhysChem
1(show)ChemSusChem
1(show)J. Chem. Phys.
1(show)J. Mol. Liq.
1(show)J. Phys. Chem. C
1(show)Phys. Chem. Chem. Phys.
1(show)Vib. Spectrosc.
1(show)Z. Phys. Chem.