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).

Want to join the TRAVIS team? There are two PhD positions available in the group of Prof. Martin Brehm at the University of Paderborn (Germany). Please see the official announcements in German and English language. You can apply until 15.03.2024.

— Work Citing TRAVIS —

Only showing results by author “Kowsari, M. H.”. Show all citations.

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

9 F. Khorrami, M. H. Kowsari:
"Tracing the Origin of Heterogeneities in the Local Structure and Very Sluggish Dynamics of [Cho][Gly] Ionic Liquid Confined between Rutile and Graphite Slit Nanopores: A MD Study"
J. Chem. Phys. 2022, 156 (21), 214701.     (DOI 10.1063/5.0092381 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, DProf, Aggr, MSD, RDyn, Spec.
8 M. H. Kowsari, S. M. Torabi:
"Molecular Dynamics Insights into the Nanoscale Structural Organization and Local Interaction of Aqueous Solutions of Ionic Liquid 1-Butyl-3-Methylimidazolium Nitrate"
J. Phys. Chem. B 2020, 124 (32), 6972–6985.     (DOI 10.1021/acs.jpcb.0c01803 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, SFac.
7 F. Khorrami, M. H. Kowsari:
"Tracing Local Nanostructure of the Aqueous Solutions of the Biocompatible [Cho][Gly] Ionic Liquid: Importance of Hydrogen Bond Attraction between Like-Charged Ions"
J. Phys. Chem. B 2020, 124 (18), 3770–3783.     (DOI 10.1021/acs.jpcb.0c01796 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, Spec.
6 S. Ebrahimi, M. H. Kowsari:
"Fine Probing the Effect of Replacing [PF6]− with [PF3(C2F5)3] − On the Local Structure and Nanoscale Organization of [BMIm]+ -based Ionic Liquids Using MD Simulation"
Phys. Chem. Chem. Phys. 2019, 21 (6), 3195–3210.     (DOI 10.1039/C8CP07829G ) ⭳ Bib
5 M. H. Kowsari, S. Ebrahimi:
"Capturing the Effect of [PF3(C2F5)3]− vs. [PF6]− , Flexible Anion vs. Rigid, and Scaled Charge vs. Unit on the Transport Properties of [BMIm]+ -Based Ionic Liquids: A Comparative MD Study"
Phys. Chem. Chem. Phys. 2018, 20 (19), 13379–13393.     (DOI 10.1039/C8CP01700J ) ⭳ Bib
Uses TRAVIS for RDyn.
4 M. H. Kowsari, L. Tohidifar:
"Systematic Evaluation and Refinement of Existing All‐Atom Force Fields for the Simulation of Liquid Acetonitrile"
J. Comput. Chem. 2018, 39 (23), 1843–1853.     (DOI 10.1002/jcc.25337 ) ⭳ Bib
3 Z. Pouramini, A. Mohebbi, M. H. Kowsari:
"Atomistic Insights into the Thermodynamics, Structure, and Dynamics of Ionic Liquid 1-Hexyl-3-methylimidazolium Hexafluorophosphate via Molecular Dynamics Study"
J. Mol. Liq. 2017, 246, 39–47.     (DOI 10.1016/j.molliq.2017.09.043 ) ⭳ Bib
2 M. H. Kowsari, L. Tohidifar:
"Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations"
J. Phys. Chem. B 2016, 120 (41), 10824–10838.     (DOI 10.1021/acs.jpcb.6b08396 ) ⭳ Bib
Uses TRAVIS for SDF.
1 M. H. Kowsari, M. Fakhraee, S. Alavi, B. Najafi:
"Molecular Dynamics and ab initio Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-based [Tf2N–] Ionic Liquids"
J. Chem. Eng. Data 2014, 59 (9), 2834–2849.     (DOI 10.1021/je5004675 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Kowsari, M. H.”. Show all citations.

Go to Article List, go to Journal List.

10 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Kowsari, M. H.
2(show)Ebrahimi, S.
2(show)Khorrami, F.
2(show)Tohidifar, L.
1(show)Alavi, S.
1(show)Fakhraee, M.
1(show)Mohebbi, A.
1(show)Najafi, B.
1(show)Pouramini, Z.
1(show)Torabi, S. M.

— Journal List —

Only showing results by author “Kowsari, M. H.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 6 different journals.

CitationsJournal Name
3(show)J. Phys. Chem. B
2(show)Phys. Chem. Chem. Phys.
1(show)J. Chem. Eng. Data
1(show)J. Chem. Phys.
1(show)J. Comput. Chem.
1(show)J. Mol. Liq.