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 in journal “Fluid Phase Equilib.”. Show all citations.

Go to Author List, go to Journal List.

7 citations match the query.  Show continuous list view.

— 2022 —

7 M. Mohan, N. Kumar, V. V. Goud, B. A. Simmons, K. L. Sale, J. M. Gladden, S. Singh, T. Banerjee:
"Effect of Cosolvent on the Solubility of Glucose in Ionic Liquids: Experimental and Molecular Dynamics Simulations"
Fluid Phase Equilib. 2022, 562, 113559.     (DOI 10.1016/j.fluid.2022.113559 ) ⭳ Bib
6 K. Bernardino, M. C. C. Ribeiro:
"Pressure and Shear Rate Effects on Viscosity and Structure of Imidazolium-Based Ionic Liquids"
Fluid Phase Equilib. 2022, 554, 113345.     (DOI 10.1016/j.fluid.2021.113345 ) ⭳ Bib

— 2019 —

5 A. J. Silveira, S. Pereda, F. W. Tavares, C. R. A. Abreu:
"A Molecular Dynamics Study of the Solvation of Carbon Dioxide and Other Compounds in the Ionic Liquids [EMIm][B(CN)4] and [EMIm][NTf2]"
Fluid Phase Equilib. 2019, 491, 1–11.     (DOI 10.1016/j.fluid.2019.03.007 ) ⭳ Bib

— 2017 —

4 A. G. Reveco-Chilla, L. M. Valenzuela, J. M. del Valle, E. J. Maginn:
"Use of Molecular Dynamics Simulations to Estimate the Solubility of Menadione in Supercritical CO2 Using Chrastil's Model"
Fluid Phase Equilib. 2017, 433, 112–118.     (DOI 10.1016/j.fluid.2016.10.017 ) ⭳ Bib
Uses TRAVIS for SDF.
3 A. Korotkevich, D. S. Firaha, A. A. H. Pádua, B. Kirchner:
"Ab initio Molecular Dynamics Simulations of SO2 Solvation in Choline Chloride/Glycerol Deep Eutectic Solvent"
Fluid Phase Equilib. 2017, 448, 59–68.     (DOI 10.1016/j.fluid.2017.03.024 ) ⭳ Bib
Uses TRAVIS for RDF, NI.

— 2016 —

2 G. M. C. Silva, P. Morgado, J. D. Haley, V. M. T. Montoya, C. McCabe, L. F. G. Martins, E. J. M. Filipe:
"Vapor Pressure and Liquid Density of Fluorinated Alcohols: Experimental, Simulation and GC-SAFT-VR Predictions"
Fluid Phase Equilib. 2016, 425, 297–304.     (DOI 10.1016/j.fluid.2016.06.011 ) ⭳ Bib

— 2014 —

1 H. Wu, E. J. Maginn:
"Water Solubility and Dynamics of CO2 Capture Ionic Liquids Having Aprotic Heterocyclic Anions"
Fluid Phase Equilib. 2014, 368, 72–79.     (DOI 10.1016/j.fluid.2014.02.003 ) ⭳ Bib

— Author List —

Only showing results in journal “Fluid Phase Equilib.”. Show all citations.

Go to Article List, go to Journal List.

30 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Maginn, E. J.
1(show)Abreu, C. R. A.
1(show)Banerjee, T.
1(show)Bernardino, K.
1(show)del Valle, J. M.
1(show)Gladden, J. M.
1(show)Goud, V. V.
1(show)Haley, J. D.
1(show)Filipe, E. J. M.
1(show)Firaha, D. S.
1(show)Kirchner, B.
1(show)Korotkevich, A.
1(show)Kumar, N.
1(show)Martins, L. F. G.
1(show)McCabe, C.
1(show)Mohan, M.
1(show)Montoya, V. M. T.
1(show)Morgado, P.
1(show)Pádua, A. A. H.
1(show)Pereda, S.
1(show)Reveco-Chilla, A. G.
1(show)Ribeiro, M. C. C.
1(show)Sale, K. L.
1(show)Silva, G. M. C.
1(show)Silveira, A. J.
1(show)Simmons, B. A.
1(show)Singh, S.
1(show)Tavares, F. W.
1(show)Valenzuela, L. M.
1(show)Wu, H.

— Journal List —

Only showing results in journal “Fluid Phase Equilib.”. Show all citations.

Go to Article List, go to Author List.

The 7 articles shown above were published in 1 different journals.

CitationsJournal Name
7(show)Fluid Phase Equilib.