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 “Struct. Chem.”. Show all citations.

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4 citations match the query.  Show continuous list view.

— 2023 —

4 D. S. Tikhonov, V. Scutelnic, D. I. Sharapa, A. A. Krotova, A. V. Dmitrieva, D. A. Obenchain, M. Schnell:
"Structures of the (Imidazole)nH+ ... Ar (n=1,2,3) Complexes Determined from IR Spectroscopy and Quantum Chemical Calculations"
Struct. Chem. 2023, 34 (1), 203–213.     (DOI 10.1007/s11224-022-02053-4 ) ⭳ Bib
Uses TRAVIS for NI.
3 A. Soltanabadi:
"Molecular Simulations of Thermodynamic Properties of Trigeminal Tri-Cationic Ionic Liquids: Number of Rings and Anion Type Effects"
Struct. Chem. 2023, 34 (3), 945–958.     (DOI 10.1007/s11224-022-02044-5 ) ⭳ Bib

— 2021 —

2 R. Mirzaee, A. Soltanabadi, S. Ranjbar, Z. Fakhri:
"The Role of Hydrogen Bonds in Thermodynamic and Structural Properties in Binary Mixtures of Morpholine + 2-Methylcyclohexanol: A Combined Experimental and Computational Study"
Struct. Chem. 2021, 32, 2319–2332.     (DOI 10.1007/s11224-021-01808-9 ) ⭳ Bib

— 2015 —

1 F. Malberg, O. Hollóczki, M. Thomas, B. Kirchner:
"En Route Formation of Ion Pairs at the Ionic Liquid–Vacuum Interface"
Struct. Chem. 2015, 26 (5-6), 1343–1349.     (DOI 10.1007/s11224-015-0662-0 ) ⭳ Bib
Uses TRAVIS for CDF.

— Author List —

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

Go to Article List, go to Journal List.

15 different authors contributed to the 4 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Soltanabadi, A.
1(show)Dmitrieva, A. V.
1(show)Fakhri, Z.
1(show)Hollóczki, O.
1(show)Kirchner, B.
1(show)Krotova, A. A.
1(show)Malberg, F.
1(show)Mirzaee, R.
1(show)Obenchain, D. A.
1(show)Ranjbar, S.
1(show)Schnell, M.
1(show)Scutelnic, V.
1(show)Sharapa, D. I.
1(show)Thomas, M.
1(show)Tikhonov, D. S.

— Journal List —

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

Go to Article List, go to Author List.

The 4 articles shown above were published in 1 different journals.

CitationsJournal Name
4(show)Struct. Chem.