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).

— Work Citing TRAVIS —

Only showing results by author “Zahn, S.”. Show all citations.

Go to Author List, go to Journal List.

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

7 O. Shayestehpour, S. Zahn:
"Ion Correlation in Choline Chloride–Urea Deep Eutectic Solvent (Reline) from Polarizable Molecular Dynamics Simulations"
J. Phys. Chem. B 2022, 126 (18), 3439–3449.     (DOI 10.1021/acs.jpcb.1c10671 ) ⭳ Bib
Uses TRAVIS for RDF.
6 O. Shayestehpour, S. Zahn:
"Molecular Features of Reline and Homologous Deep Eutectic Solvents Contributing to Nonideal Mixing Behavior"
J. Phys. Chem. B 2020, 124 (35), 7586–7597.     (DOI 10.1021/acs.jpcb.0c03091 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
5 R. Macchieraldo, L. Esser, R. Elfgen, P. Voepel, S. Zahn, B. M. Smarsly, B. Kirchner:
"Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water"
ACS Omega 2018, 3 (8), 8567–8582.     (DOI 10.1021/acsomega.8b00995 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr, Voro, Power.
4 S. Zahn:
"Deep Eutectic Solvents: Similia Similibus Solvuntur?"
Phys. Chem. Chem. Phys. 2017, 19 (5), 4041–4047.     (DOI 10.1039/C6CP08017K ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Aggr.
3 S. Zahn, B. Kirchner, D. Mollenhauer:
"Charge Spreading in Deep Eutectic Solvents"
ChemPhysChem 2016, 17 (21), 3354–3358.     (DOI 10.1002/cphc.201600348 ) ⭳ Bib
Uses TRAVIS for RDF.
2 L. K. Scarbath-Evers, P. A. Hunt, B. Kirchner, D. R. MacFarlane, S. Zahn:
"Molecular Features Contributing to the Lower Viscosity of Phosphonium Ionic Liquids Compared to Their Ammonium Analogues"
Phys. Chem. Chem. Phys. 2015, 17 (31), 20205–20216.     (DOI 10.1039/C5CP00340G ) ⭳ Bib
1 S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. B. C. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner:
"Understanding Ionic Liquids from Theoretical Methods"
J. Mol. Liq. 2014, 192, 71–76.     (DOI 10.1016/j.molliq.2013.08.015 ) ⭳ Bib

— Author List —

Only showing results by author “Zahn, S.”. Show all citations.

Go to Article List, go to Journal List.

21 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
7(show)Zahn, S.
4(show)Kirchner, B.
2(show)Shayestehpour, O.
1(show)Brehm, M.
1(show)Brüssel, M.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Hollóczki, O.
1(show)Hunt, P. A.
1(show)Kohagen, M.
1(show)Lehmann, S. B. C.
1(show)Macchieraldo, R.
1(show)MacFarlane, D. R.
1(show)Malberg, F.
1(show)Mollenhauer, D.
1(show)Pensado, A. S.
1(show)Scarbath-Evers, L. K.
1(show)Schöppke, M.
1(show)Smarsly, B. M.
1(show)Voepel, P.
1(show)Weber, H.

— Journal List —

Only showing results by author “Zahn, S.”. Show all citations.

Go to Article List, go to Author List.

The 7 articles shown above were published in 5 different journals.

CitationsJournal Name
2(show)J. Phys. Chem. B
2(show)Phys. Chem. Chem. Phys.
1(show)ACS Omega
1(show)J. Mol. Liq.