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 “Jedlovszky, P.”. Show all citations.

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

6 V. Koverga, Á. Juhász, D. Dudariev, M. Lebedev, A. Idrissi, P. Jedlovszky:
"Local Structure of DMF–Water Mixtures, as Seen from Computer Simulations and Voronoi Analysis"
J. Phys. Chem. B 2022, 126 (36), 6964–6978.     (DOI 10.1021/acs.jpcb.2c02235 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
5 B. A. Marekha, V. Koverga, N. Maity, A. Juhasz, F. A. Miannay, A. Inkol, T. Takamuku, P. Jedlovszky, O. N. Kalugin, A. Idrissi:
"Local Structure in Mixtures of Ionic Liquid with Molecular Solvent: Vibration Spectroscopy, NMR and Molecular Dynamics Simulation"
Physical Chemistry in Action 2021, 289–334.     (DOI 10.1007/978-981-16-5395-7_10 ) ⭳ Bib
Uses TRAVIS for SDF.
4 V. A. Koverga, N. Maity, F.-A. Miannay, O. N. Kalugin, A. Juhasz, A. Świątek, K. Polok, T. Takamuku, P. Jedlovszky, A. Idrissi:
"Voronoi Polyhedra As a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-Methylimidazolium Cation-Based Ionic Liquids"
J. Phys. Chem. B 2020, 124 (46), 10419–10434.     (DOI 10.1021/acs.jpcb.0c07398 ) ⭳ Bib
Uses TRAVIS for RDF, SFac, Voro.
3 V. A. Koverga, Y. Smortsova, F.-A. Miannay, O. N. Kalugin, T. Takamuku, P. Jedlovszky, B. A. Marekha, M. N. D. S. Cordeiro, A. Idrissi:
"Distance Angle Descriptors of the Interionic and Ion–Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study"
J. Phys. Chem. B 2019, 123 (28), 6065–6075.     (DOI 10.1021/acs.jpcb.9b03838 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
2 V. A. Koverga, O. N. Kalugin, F.-A. Miannay, Y. Smortsova, K. Goloviznina, B. A. Marekha, P. Jedlovszky, A. Idrissi:
"The Local Structure in the BMImPF6 / Acetonitrile Mixture: The Charge Distribution Effect"
Phys. Chem. Chem. Phys. 2018, 20 (34), 21890–21902.     (DOI 10.1039/C8CP03546F ) ⭳ Bib
1 B. A. Marekha, V. A. Koverga, E. Chesneau, O. N. Kalugin, T. Takamuku, P. Jedlovszky, A. Idrissi:
"Local Structure in Terms of Nearest-Neighbor Approach in 1-Butyl-3-methylimidazolium-Based Ionic Liquids: MD Simulations"
J. Phys. Chem. B 2016, 120 (22), 5029–5041.     (DOI 10.1021/acs.jpcb.6b04066 ) ⭳ Bib

— Author List —

Only showing results by author “Jedlovszky, P.”. Show all citations.

Go to Article List, go to Journal List.

21 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Idrissi, A.
6(show)Jedlovszky, P.
5(show)Kalugin, O. N.
4(show)Koverga, V. A.
4(show)Marekha, B. A.
4(show)Takamuku, T.
3(show)Miannay, F.-A.
2(show)Juhasz, A.
2(show)Koverga, V.
2(show)Maity, N.
2(show)Smortsova, Y.
1(show)Chesneau, E.
1(show)Cordeiro, M. N. D. S.
1(show)Dudariev, D.
1(show)Goloviznina, K.
1(show)Inkol, A.
1(show)Juhász, Á.
1(show)Lebedev, M.
1(show)Miannay, F. A.
1(show)Polok, K.
1(show)Świątek, A.

— Journal List —

Only showing results by author “Jedlovszky, P.”. Show all citations.

Go to Article List, go to Author List.

The 6 articles shown above were published in 3 different journals.

CitationsJournal Name
4(show)J. Phys. Chem. B
1(show)Phys. Chem. Chem. Phys.
1(show)Physical Chemistry in Action