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 “Kalugin, O. N.”. Show all citations.

Go to Author List, go to Journal List.

8 citations match the query.  Show continuous list view.

— 2020 —

8 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.

— 2019 —

7 D. S. Dudariev, K. O. Logacheva, Y. V. Kolesnik, O. N. Kalugin:
"Interparticle interactions and dynamics in BmimBF4 and LiBF4 solutions in propylene carbonate: MD simulation"
V. N. Karazin Kharkiv National University Bulletin. Chemical Series 2019, 33, 54–64.     (DOI 10.26565/2220-637X-2019-33-04 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
6 V. A. Koverga, I. V. Voroshylova, Y. Smortsova, F.-A. Miannay, M. N. D. S. Cordeiro, A. Idrissi, O. N. Kalugin:
"Local Structure and Hydrogen Bonding in Liquid Γ-Butyrolactone and Propylene Carbonate: A Molecular Dynamics Simulation"
J. Mol. Liq. 2019, 287, 110912.     (DOI 10.1016/j.molliq.2019.110912 ) ⭳ Bib
5 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.

— 2018 —

4 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

— 2017 —

3 V. A. Koverga, O. M. Korsun, O. N. Kalugin, B. A. Marekha, A. Idrissi:
"A New Potential Model for Acetonitrile: Insight into the Local Structure Organization"
J. Mol. Liq. 2017, 233, 251–261.     (DOI 10.1016/j.molliq.2017.03.025 ) ⭳ Bib

— 2016 —

2 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

— 2015 —

1 B. A. Marekha, V. A. Koverga, M. Moreau, M. Kiselev, T. Takamuku, O. N. Kalugin, A. Idrissi:
"Intermolecular Interactions, Ion Solvation, and Association in Mixtures of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate and Γ-butyrolactone: Insights from Raman Spectroscopy"
J. Raman Spectrosc. 2015, 46 (3), 339–352.     (DOI 10.1002/jrs.4640 ) ⭳ Bib

— Author List —

Only showing results by author “Kalugin, O. N.”. Show all citations.

Go to Article List, go to Journal List.

22 different authors contributed to the 8 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
8(show)Kalugin, O. N.
7(show)Idrissi, A.
7(show)Koverga, V. A.
5(show)Marekha, B. A.
4(show)Jedlovszky, P.
4(show)Miannay, F.-A.
4(show)Takamuku, T.
3(show)Smortsova, Y.
2(show)Cordeiro, M. N. D. S.
1(show)Chesneau, E.
1(show)Dudariev, D. S.
1(show)Goloviznina, K.
1(show)Juhasz, A.
1(show)Kiselev, M.
1(show)Kolesnik, Y. V.
1(show)Korsun, O. M.
1(show)Logacheva, K. O.
1(show)Maity, N.
1(show)Moreau, M.
1(show)Polok, K.
1(show)Świątek, A.
1(show)Voroshylova, I. V.

— Journal List —

Only showing results by author “Kalugin, O. N.”. Show all citations.

Go to Article List, go to Author List.

The 8 articles shown above were published in 5 different journals.

CitationsJournal Name
3(show)J. Phys. Chem. B
2(show)J. Mol. Liq.
1(show)J. Raman Spectrosc.
1(show)Phys. Chem. Chem. Phys.
1(show)V. N. Karazin Kharkiv National University Bulletin. Chemical Series