TRAVIS – Trajectory Analyzer and Visualizer


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).

Want to join the TRAVIS team? There are two PhD positions available in the group of Prof. Martin Brehm at the University of Paderborn (Germany). Please see the official announcements in German and English language. You can apply until 15.03.2024.

— Work Citing TRAVIS —

Only showing results in journal “ChemSusChem”. Show all citations.

Go to Author List, go to Journal List.

6 citations match the query.  Show continuous list view.

— 2021 —

6 S. Gehrke, P. Ray, T. Stettner, A. Balducci, B. Kirchner:
"Water in Protic Ionic Liquid Electrolytes: From Solvent Separated Ion Pairs to Water Clusters"
ChemSusChem 2021, 14 (16), 3315–3324.     (DOI 10.1002/cssc.202100660 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr, MSD, RDyn, Domain.

— 2020 —

5 R. Elfgen, S. Gehrke, O. Hollóczki:
"Ionic Liquids As Extractants for Nanoplastics"
ChemSusChem 2020, 13 (20), 5449–5459.     (DOI 10.1002/cssc.202001749 ) ⭳ Bib

— 2019 —

4 T. Stettner, S. Gehrke, P. Ray, B. Kirchner, A. Balducci:
"Water in Protic Ionic Liquids: Properties and Use of a New Class of Electrolytes for Energy‐Storage Devices"
ChemSusChem 2019, 12 (16), 3827–3836.     (DOI 10.1002/cssc.201901283 ) ⭳ Bib
Uses TRAVIS for CDF, Domain.

— 2016 —

3 D. S. Firaha, B. Kirchner:
"Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids"
ChemSusChem 2016, 9 (13), 1591–1599.     (DOI 10.1002/cssc.201600126 ) ⭳ Bib
Uses TRAVIS for CDF.
2 H. Weber, B. Kirchner:
"Ionic Liquid Induced Band Shift of Titanium Dioxide"
ChemSusChem 2016, 9 (17), 2505–2514.     (DOI 10.1002/cssc.201600844 ) ⭳ Bib

— 2015 —

1 M. C. Corvo, J. Sardinha, T. Casimiro, G. Marin, M. Seferin, S. Einloft, S. C. Menezes, J. Dupont, E. J. Cabrita:
"A Rational Approach to CO2 Capture by Imidazolium Ionic Liquids: Tuning CO2 Solubility by Cation Alkyl Branching"
ChemSusChem 2015, 8 (11), 1935–1946.     (DOI 10.1002/cssc.201500104 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results in journal “ChemSusChem”. Show all citations.

Go to Article List, go to Journal List.

18 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
4(show)Kirchner, B.
3(show)Gehrke, S.
2(show)Balducci, A.
2(show)Ray, P.
2(show)Stettner, T.
1(show)Cabrita, E. J.
1(show)Casimiro, T.
1(show)Corvo, M. C.
1(show)Dupont, J.
1(show)Elfgen, R.
1(show)Hollóczki, O.
1(show)Einloft, S.
1(show)Firaha, D. S.
1(show)Marin, G.
1(show)Menezes, S. C.
1(show)Sardinha, J.
1(show)Seferin, M.
1(show)Weber, H.

— Journal List —

Only showing results in journal “ChemSusChem”. Show all citations.

Go to Article List, go to Author List.

The 6 articles shown above were published in 1 different journals.

CitationsJournal Name