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 “Leonelli, F.”. Show all citations.

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

5 A. Triolo, V. V. Chaban, F. Lo Celso, F. Leonelli, M. Vogel, E. Steinrücken, A. D. Giudice, C. Ottaviani, J. A. Kenar, O. Russina:
"Oleochemical Carbonates: A Comprehensive Characterization of an Emerging Class of Organic Compounds"
J. Mol. Liq. 2023, 369, 120854.     (DOI 10.1016/j.molliq.2022.120854 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, SFac, MSD.
4 A. Triolo, F. Lo Celso, N. V. Plechkova, F. Leonelli, S. Gärtner, D. S. Keeble, O. Russina:
"Structure of Anisole Derivatives by Total Neutron and X-Ray Scattering: Evidences of Weak C H⋯O and C H⋯π Interactions in the Liquid State"
J. Mol. Liq. 2020, 314, 113795.     (DOI 10.1016/j.molliq.2020.113795 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac.
3 A. Triolo, F. Lo Celso, C. Ottaviani, P. Ji, G. B. Appetecchi, F. Leonelli, D. S. Keeble, O. Russina:
"Structural Features of Selected Protic Ionic Liquids Based on a Super-Strong Base"
Phys. Chem. Chem. Phys. 2019, 21 (45), 25369–25378.     (DOI 10.1039/C9CP03927A ) ⭳ Bib
2 L. Gontrani, F. Leonelli, M. Campetella:
"An X-Ray and Computational Study of Liquid Pentylammonium Nitrate"
Chem. Phys. Lett. 2017, 687, 38–43.     (DOI 10.1016/j.cplett.2017.08.068 ) ⭳ Bib
Uses TRAVIS for Aggr.
1 E. Bodo, S. Mangialardo, F. Capitani, L. Gontrani, F. Leonelli, P. Postorino:
"Interaction of a Long Alkyl Chain Protic Ionic Liquid and Water"
J. Chem. Phys. 2014, 140 (20), 204503.     (DOI 10.1063/1.4876036 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.

— Author List —

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

Go to Article List, go to Journal List.

21 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Leonelli, F.
3(show)Lo Celso, F.
3(show)Russina, O.
3(show)Triolo, A.
2(show)Gontrani, L.
2(show)Keeble, D. S.
2(show)Ottaviani, C.
1(show)Appetecchi, G. B.
1(show)Bodo, E.
1(show)Campetella, M.
1(show)Capitani, F.
1(show)Chaban, V. V.
1(show)Gärtner, S.
1(show)Giudice, A. D.
1(show)Ji, P.
1(show)Kenar, J. A.
1(show)Mangialardo, S.
1(show)Plechkova, N. V.
1(show)Postorino, P.
1(show)Steinrücken, E.
1(show)Vogel, M.

— Journal List —

Only showing results by author “Leonelli, F.”. 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)J. Mol. Liq.
1(show)Chem. Phys. Lett.
1(show)J. Chem. Phys.
1(show)Phys. Chem. Chem. Phys.