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 “Turner, C. H.”. Show all citations.

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

5 G. D. Barbosa, J. E. Bara, C. H. Turner:
"Molecular Simulation of Glycerol-Derived Triether Podands for Lithium Ion Solvation"
Phys. Chem. Chem. Phys. 2022, 24 (16), 9459–9466.     (DOI 10.1039/D2CP00646D ) ⭳ Bib
4 G. D. Barbosa, C. H. Turner:
"Molecular-Level Solvation and Selectivity Behavior of Na+, K+, and Li+ within Glycerol-Derived Solvents"
Chem. Eng. Sci. 2022, 16, 117992.     (DOI 10.1016/j.ces.2022.117992 ) ⭳ Bib
3 G. D. Barbosa, X. Liu, K. E. O'Harra, J. E. Bara, C. H. Turner:
"Charge Scaling Parameter Evaluation for Multivalent Ionic Liquids with Fixed Point Charge Force Fields"
Journal of Ionic Liquids 2022, 97, 100020.     (DOI 10.1016/j.jil.2022.100020 ) ⭳ Bib
Uses TRAVIS for SDF.
2 P. Sappidi, M. Maurya, K. E. O'Harra, J. E. Bara, C. H. Turner:
"Molecular Simulations and Experimental Studies of the Structural Properties of Imidazolium Ionenes with Butyl and Decyl Spacers Solvated in 1-Ethyl-3-Methylimidazolium Bistriflimide"
Journal of Ionic Liquids 2022, 2 (1), 100013.     (DOI 10.1016/j.jil.2021.100013 ) ⭳ Bib
1 P. Sappidi, X. Liu, K. E. O'Harra, J. E. Bara, C. H. Turner:
"How Do Ionic Liquids "Fold" Ionenes? Computational and Experimental Analysis of Imidazolium Polymers Based on Ether and Alkyl Chain Variations Dissolved in an Ionic Liquid"
Macromolecules 2021, 54 (4), 1611–1622.     (DOI 10.1021/acs.macromol.0c02604 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Turner, C. H.”. Show all citations.

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7 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Turner, C. H.
4(show)Bara, J. E.
3(show)Barbosa, G. D.
3(show)O'Harra, K. E.
2(show)Liu, X.
2(show)Sappidi, P.
1(show)Maurya, M.

— Journal List —

Only showing results by author “Turner, C. H.”. Show all citations.

Go to Article List, go to Author List.

The 5 articles shown above were published in 4 different journals.

CitationsJournal Name
2(show)Journal of Ionic Liquids
1(show)Chem. Eng. Sci.
1(show)Phys. Chem. Chem. Phys.