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 “Mbaiwa, F.”. Show all citations.

Go to Author List, go to Journal List.

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

4 M. Nyepetsi, F. Mbaiwa, O. A. Oyetunji, N. H. de Leeuw:
"Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations"
ACS Omega 2022, 7 (12), 10212–10224.     (DOI 10.1021/acsomega.1c06762 ) ⭳ Bib
Uses TRAVIS for RDF, NI, DProf.
3 F. Mbaiwa, M. Nyepetsi:
"Molecular Dynamics and Density Functional Theory Studies of Γ-Butyrolactone (GBL) + Ethanol and Γ-Valerolactone (GVL) + Ethanol Liquid Mixtures"
J. Mol. Liq. 2020, 319, 114128.     (DOI 10.1016/j.molliq.2020.114128 ) ⭳ Bib
2 O. W. Kgagodi, F. Mbaiwa:
"Investigation of Alcohol Conformer Distribution and Hydrogen Bonding in (2,2′-Difurylmethane + n-Propanol or n-Butanol) Binary Mixtures Using Molecular Dynamics Simulations"
Chemistry Africa 2019, 2 (3), 455–461.     (DOI 10.1007/s42250-019-00057-y ) ⭳ Bib
1 O. W. Kgagodi, F. Mbaiwa:
"Molecular Dynamics Study of 2,2′-Difurylmethane and n-Propanol Binary Mixture"
J. Mol. Liq. 2017, 227, 366–372.     (DOI 10.1016/j.molliq.2016.10.128 ) ⭳ Bib

— Author List —

Only showing results by author “Mbaiwa, F.”. Show all citations.

Go to Article List, go to Journal List.

5 different authors contributed to the 4 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
4(show)Mbaiwa, F.
2(show)Kgagodi, O. W.
2(show)Nyepetsi, M.
1(show)de Leeuw, N. H.
1(show)Oyetunji, O. A.

— Journal List —

Only showing results by author “Mbaiwa, F.”. Show all citations.

Go to Article List, go to Author List.

The 4 articles shown above were published in 3 different journals.

CitationsJournal Name
2(show)J. Mol. Liq.
1(show)ACS Omega
1(show)Chemistry Africa