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 by author “Welton, T.”. Show all citations.

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6 citations match the query.  Show sub-lists per year.

6 F. Philippi, D. Rauber, O. Palumbo, K. Goloviznina, J. McDaniel, D. Pugh, S. Suarez, C. C. Fraenza, A. Padua, C. W. M. Kay, T. Welton:
"Flexibility Is the Key to Tuning the Transport Properties of Fluorinated Imide-Based Ionic Liquids"
Chem Sci 2022, 13 (32), 9176–9190.     (DOI 10.1039/D2SC03074H ) ⭳ Bib
Uses TRAVIS for SFac.
5 S. Koutsoukos, F. Philippi, F. Malaret, T. Welton:
"A Review on Machine Learning Algorithms for the Ionic Liquid Chemical Space"
Chem. Sci. 2021, 12, 6820–6843.     (DOI 10.1039/D1SC01000J ) ⭳ Bib
4 D. Rauber, F. Philippi, B. Kuttich, J. Becker, T. Kraus, P. Hunt, T. Welton, R. Hempelmann, C. W. M. Kay:
"Curled Cation Structures Accelerate the Dynamics of Ionic Liquids"
Phys. Chem. Chem. Phys. 2021, 23 (37), 21042–21064.     (DOI 10.1039/D1CP02889H ) ⭳ Bib
3 S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner:
"Structure and Lifetimes in Ionic Liquids and Their Mixtures"
Faraday Discuss. 2018, 206, 219–245.     (DOI 10.1039/C7FD00166E ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr, Domain.
2 R. P. Matthews, T. Welton, P. A. Hunt:
"Competitive Pi Interactions and Hydrogen Bonding within Imidazolium Ionic Liquids"
Phys. Chem. Chem. Phys. 2014, 16 (7), 3238.     (DOI 10.1039/c3cp54672a ) ⭳ Bib
Uses TRAVIS for SDF.
1 O. Hollóczki, F. Malberg, T. Welton, B. Kirchner:
"On the Origin of Ionicity in Ionic Liquids. Ion Pairing Versus Charge Transfer"
Phys. Chem. Chem. Phys. 2014, 16 (32), 16880–16890.     (DOI 10.1039/C4CP01177E ) ⭳ Bib
Uses TRAVIS for CDF.

— Author List —

Only showing results by author “Welton, T.”. Show all citations.

Go to Article List, go to Journal List.

28 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Welton, T.
3(show)Philippi, F.
2(show)Hollóczki, O.
2(show)Kay, C. W. M.
2(show)Kirchner, B.
2(show)Rauber, D.
1(show)Becker, J.
1(show)Brehm, M.
1(show)Clark, R.
1(show)Fraenza, C. C.
1(show)Goloviznina, K.
1(show)Hunt, P.
1(show)Hunt, P. A.
1(show)Hempelmann, R.
1(show)Gehrke, S.
1(show)Koutsoukos, S.
1(show)Kraus, T.
1(show)Kuttich, B.
1(show)Luzar, A.
1(show)Malaret, F.
1(show)Malberg, F.
1(show)Matthews, R. P.
1(show)McDaniel, J.
1(show)Padua, A.
1(show)Palumbo, O.
1(show)Pugh, D.
1(show)Suarez, S.
1(show)von Domaros, M.

— Journal List —

Only showing results by author “Welton, T.”. Show all citations.

Go to Article List, go to Author List.

The 6 articles shown above were published in 4 different journals.

CitationsJournal Name
3(show)Phys. Chem. Chem. Phys.
1(show)Chem. Sci.
1(show)Chem Sci
1(show)Faraday Discuss.