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 work with “Density Profiles” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

10 citations match the query.  Show continuous list view.

— 2021 —

10 N. Zec, G. Mangiapia, A. C. Hendry, R. Barker, A. Koutsioubas, H. Frielinghaus, M. Campana, J. L. Ortega-Roldan, S. Busch, J.-F. Moulin:
"Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments"
Membranes 2021, 11 (7), 507.     (DOI 10.3390/membranes11070507 ) ⭳ Bib
Uses TRAVIS for

— 2020 —

9 O. V. M. Bueno, J. J. Benítez, M. A. San-Miguel:
"Elucidating Esterification Reaction during Deposition of Cutin Monomers from Classical Molecular Dynamics Simulations"
J. Mol. Model. 2020, 26 (10), 280.     (DOI 10.1007/s00894-020-04544-9 ) ⭳ Bib
8 M. H. Dokoohaki, A. R. Zolghadr, M. H. Ghatee, A. Klein:
"Aqueous Solutions of Binary Ionic Liquids: Insight into Structure, Dynamics, and Interface Properties by Molecular Dynamics Simulations and DFT Methods"
Phys. Chem. Chem. Phys. 2020, 22 (47), 27882–27895.     (DOI 10.1039/D0CP04303F ) ⭳ Bib
7 L. Maritsa, A. Bol, S. Aparicio:
"Quasi-Smectic Liquid Crystal Phase of Octane in Contact with 2D MoS2"
Appl. Surf. Sci. 2020, 533, 147386.     (DOI 10.1016/j.apsusc.2020.147386 ) ⭳ Bib
Uses TRAVIS for
6 M. Moghaddari, F. Yousefi, S. Aparicio, S. M. Hosseini:
"Thermal Conductivity and Structuring of Multiwalled Carbon Nanotubes Based Nanofluids"
J. Mol. Liq. 2020, 307, 112977.     (DOI 10.1016/j.molliq.2020.112977 ) ⭳ Bib
Uses TRAVIS for RDF,
5 M. H. Dokoohaki, A. R. Zolghadr, A. Klein:
"Impact of the Chemical Structure on the Distribution of Neuroprotective N-Alkyl-9H-carbazoles at Octanol/Water Interfaces"
New J. Chem. 2020, 44 (4), 1211–1220.     (DOI 10.1039/C9NJ04251B ) ⭳ Bib

— 2018 —

4 C. J. Smith, S. Gehrke, O. Hollóczki, D. V. Wagle, M. P. Heitz, G. A. Baker:
"NMR Relaxometric Probing of Ionic Liquid Dynamics and Diffusion under Mesoscopic Confinement within Bacterial Cellulose Ionogels"
J. Chem. Phys. 2018, 148 (19), 193845.     (DOI 10.1063/1.5016337 ) ⭳ Bib
Uses TRAVIS for RDF,
, Aggr, MSD, RDyn.

— 2017 —

3 X.-Y. Guo, C. Peschel, T. Watermann, G. Rudorff, D. Sebastiani:
"Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer"
Polymers 2017, 9 (12), 488.     (DOI 10.3390/polym9100488 ) ⭳ Bib
Uses TRAVIS for RDF,
, MSD.
2 M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani:
"Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers"
J. Phys. Chem. B 2017, 121 (35), 8311–8321.     (DOI 10.1021/acs.jpcb.7b06520 ) ⭳ Bib
Uses TRAVIS for RDF,
, MSD, Order.

— 2015 —

1 H. Weber, M. Salanne, B. Kirchner:
"Toward an Accurate Modeling of Ionic Liquid–TiO2 Interfaces"
J. Phys. Chem. C 2015, 119 (45), 25260–25267.     (DOI 10.1021/acs.jpcc.5b08538 ) ⭳ Bib
Uses TRAVIS for CDF,

— Author List —

Only showing work with “Density Profiles” from TRAVIS. Show all citations.

Go to Article List, go to Journal List.

39 different authors contributed to the 10 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Aparicio, S.
2(show)Dokoohaki, M. H.
2(show)Klein, A.
2(show)Sebastiani, D.
2(show)Watermann, T.
2(show)Zolghadr, A. R.
1(show)Baker, G. A.
1(show)Barker, R.
1(show)Benítez, J. J.
1(show)Bol, A.
1(show)Brehm, M.
1(show)Bueno, O. V. M.
1(show)Busch, S.
1(show)Campana, M.
1(show)Frielinghaus, H.
1(show)Gehrke, S.
1(show)Guo, X.-Y.
1(show)Heitz, M. P.
1(show)Hendry, A. C.
1(show)Hollóczki, O.
1(show)Hosseini, S. M.
1(show)Ghatee, M. H.
1(show)Kirchner, B.
1(show)Koutsioubas, A.
1(show)Mangiapia, G.
1(show)Maritsa, L.
1(show)Moghaddari, M.
1(show)Moulin, J.-F.
1(show)Ortega-Roldan, J. L.
1(show)Peschel, C.
1(show)Rudorff, G.
1(show)Saddiq, G.
1(show)Salanne, M.
1(show)San-Miguel, M. A.
1(show)Smith, C. J.
1(show)Wagle, D. V.
1(show)Weber, H.
1(show)Yousefi, F.
1(show)Zec, N.

— Journal List —

Only showing work with “Density Profiles” from TRAVIS. Show all citations.

Go to Article List, go to Author List.

The 10 articles shown above were published in 10 different journals.

CitationsJournal Name
1(show)Appl. Surf. Sci.
1(show)J. Chem. Phys.
1(show)J. Mol. Liq.
1(show)J. Mol. Model.
1(show)J. Phys. Chem. B
1(show)J. Phys. Chem. C
1(show)New J. Chem.
1(show)Phys. Chem. Chem. Phys.