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. Phys.”. Show all citations.

Go to Author List, go to Journal List.

7 citations match the query.  Show continuous list view.

— 2023 —

7 R. Ghosh, C. Parida, S. Chowdhuri:
"Hydrogen Bonding Behavior of Ethanol-Trifluoroethanol Binary Mixtures and Its Effects on the Water Structure and Dynamics in Ternary Aqueous-Ethanol-Trifluoroethanol Solutions"
Chem. Phys. 2023, 225, 111956.     (DOI 10.1016/j.chemphys.2023.111956 ) ⭳ Bib

— 2022 —

6 A. Biswas, B. S. Mallik:
"Vibrational Spectral Dynamics and Ion-Probe Interactions of the Hydrogen-Bonded Liquids in 1-Ethyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide"
Chem. Phys. 2022, 62, 111519.     (DOI 10.1016/j.chemphys.2022.111519 ) ⭳ Bib

— 2019 —

5 M. M. Ristić, M. Petković, B. Milovanović, J. Belić, M. Etinski:
"New Hybrid Cluster-Continuum Model for pKa Values Calculations: Case Study of Neurotransmitters’ Amino Group Acidity"
Chem. Phys. 2019, 516, 55–62.     (DOI 10.1016/j.chemphys.2018.08.022 ) ⭳ Bib
Uses TRAVIS for RDF.
4 B. Milovanović, J. Ilić, I. M. Stanković, M. Popara, M. Petković, M. Etinski:
"A Simulation of Free Radicals Induced Oxidation of Dopamine in Aqueous Solution"
Chem. Phys. 2019, 524, 26–30.     (DOI 10.1016/j.chemphys.2019.05.001 ) ⭳ Bib

— 2017 —

3 M. H. Ghatee, M. Bahrami:
"Emergence of Innovative Properties by Replacement of Nitrogen Atom with Phosphorus Atom in Quaternary Ammonium Ionic Liquids: Insights from ab initio Calculations and MD Simulations"
Chem. Phys. 2017, 490, 92–105.     (DOI 10.1016/j.chemphys.2017.04.005 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2016 —

2 A. R. Zolghadr, M. H. Ghatee, F. Moosavi:
"The Effect of Various Quantum Mechanically Derived Partial Atomic Charges on the Bulk Properties of Chloride-Based Ionic Liquids"
Chem. Phys. 2016, 475, 23–31.     (DOI 10.1016/j.chemphys.2016.05.022 ) ⭳ Bib
Uses TRAVIS for SDF.
1 A. R. Zolghadr, M. H. Dokoohaki:
"Self-Assembly of Neuroprotective Carbazolium Based Small Molecules at Octane/Water Interface: A Simulation Investigation"
Chem. Phys. 2016, 480, 1–11.     (DOI 10.1016/j.chemphys.2016.10.008 ) ⭳ Bib
Uses TRAVIS for CDF.

— Author List —

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

Go to Article List, go to Journal List.

18 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Etinski, M.
2(show)Ghatee, M. H.
2(show)Milovanović, B.
2(show)Petković, M.
2(show)Zolghadr, A. R.
1(show)Bahrami, M.
1(show)Belić, J.
1(show)Biswas, A.
1(show)Chowdhuri, S.
1(show)Dokoohaki, M. H.
1(show)Ilić, J.
1(show)Ghosh, R.
1(show)Mallik, B. S.
1(show)Moosavi, F.
1(show)Parida, C.
1(show)Popara, M.
1(show)Ristić, M. M.
1(show)Stanković, I. M.

— Journal List —

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

Go to Article List, go to Author List.

The 7 articles shown above were published in 1 different journals.

CitationsJournal Name
7(show)Chem. Phys.