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 “Chem. Eur. J”. Show all citations.

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8 citations match the query.  Show continuous list view.

— 2022 —

8 M. A. Grasser, T. Pietsch, J. Blasius, O. Hollóczki, E. Brunner, T. Doert, M. Ruck:
"Coexistence of Tellurium Cations and Anions in Phosphonium-Based Ionic Liquids"
Chem. Eur. J 2022, 28 (7), e202103770.     (DOI 10.1002/chem.202103770 ) ⭳ Bib

— 2020 —

7 R. Macchieraldo, J. Ingenmey, B. Kirchner:
"Understanding the Complex Surface Interplay for Extraction: A Molecular Dynamics Study"
Chem. Eur. J 2020, 26 (65), 14969–14977.     (DOI 10.1002/chem.202002744 ) ⭳ Bib

— 2019 —

6 D. Abdullin, N. Fleck, C. Klein, P. Brehm, S. Spicher, A. Lützen, S. Grimme, O. Schiemann:
"Synthesis of µ2-Oxo-Bridged Iron(III) Tetraphenylporphyrin-Spacer-Nitroxide Dimers and their Structural and Dynamics Characterization by Using EPR and MD Simulations"
Chem. Eur. J 2019, 25 (10), 2586–2596.     (DOI 10.1002/chem.201805016 ) ⭳ Bib
5 D. Abdullin, P. Brehm, N. Fleck, S. Spicher, S. Grimme, O. Schiemann:
"Pulsed EPR Dipolar Spectroscopy on Spin Pairs with One Highly Anisotropic Spin Center: The Low‐Spin Fe III Case"
Chem. Eur. J 2019, 25 (63), 14388–14398.     (DOI 10.1002/chem.201902908 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2018 —

4 P. Kraus, I. Frank:
"Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces"
Chem. Eur. J 2018, 24 (28), 7188–7199.     (DOI 10.1002/chem.201705867 ) ⭳ Bib
Uses TRAVIS for Power.
3 S. Gehrke, O. Hollóczki:
"Hydrogen Bonding of N-Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization"
Chem. Eur. J 2018, 24 (45), 11594–11604.     (DOI 10.1002/chem.201802286 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr.

— 2016 —

2 D. Scuderi, E. Bodo, B. Chiavarino, S. Fornarini, M. E. Crestoni:
"Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations"
Chem. Eur. J 2016, 22 (48), 17239–17250.     (DOI 10.1002/chem.201603298 ) ⭳ Bib
Uses TRAVIS for RDF, Power.

— 2014 —

1 M. Thomas, M. Brehm, O. Hollóczki, B. Kirchner:
"How Can a Carbene be Active in an Ionic Liquid?"
Chem. Eur. J 2014, 20 (6), 1622–1629.     (DOI 10.1002/chem.201303329 ) ⭳ Bib

— Author List —

Only showing results in journal “Chem. Eur. J”. Show all citations.

Go to Article List, go to Journal List.

28 different authors contributed to the 8 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
3(show)Hollóczki, O.
2(show)Abdullin, D.
2(show)Brehm, P.
2(show)Fleck, N.
2(show)Grimme, S.
2(show)Kirchner, B.
2(show)Schiemann, O.
2(show)Spicher, S.
1(show)Blasius, J.
1(show)Bodo, E.
1(show)Brehm, M.
1(show)Brunner, E.
1(show)Chiavarino, B.
1(show)Crestoni, M. E.
1(show)Doert, T.
1(show)Fornarini, S.
1(show)Frank, I.
1(show)Grasser, M. A.
1(show)Ingenmey, J.
1(show)Gehrke, S.
1(show)Klein, C.
1(show)Kraus, P.
1(show)Lützen, A.
1(show)Macchieraldo, R.
1(show)Pietsch, T.
1(show)Ruck, M.
1(show)Scuderi, D.
1(show)Thomas, M.

— Journal List —

Only showing results in journal “Chem. Eur. J”. Show all citations.

Go to Article List, go to Author List.

The 8 articles shown above were published in 1 different journals.

CitationsJournal Name
8(show)Chem. Eur. J