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 “Filipe, E. J. M.”. Show all citations.

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

4 M. I. Cabaço, M. Besnard, C. Cruz, P. Morgado, G. M. C. Silva, E. J. M. Filipe, J. A. P. Coutinho, Y. Danten:
"Breaking the Structure of Liquid Hydrogenated Alcohols Using Perfluorinated tert-Butanol: A Multitechnique Approach (Infrared, Raman, and X-Ray Scattering) Analyzed by Dft and Molecular Dynamics Calculations"
J. Phys. Chem. B 2022, 126 (9), 1992–2004.     (DOI 10.1021/acs.jpcb.1c10776 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
3 L. G. Celia-Silva, P. B. Vilela, P. Morgado, E. F. Lucas, L. F. G. Martins, E. J. M. Filipe:
"Preaggregation of Asphaltenes in the Presence of Natural Polymers by Molecular Dynamics Simulation"
Energy Fuels 2020, 34 (2), 1581–1591.     (DOI 10.1021/acs.energyfuels.9b03703 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Domain.
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
1 P. Morgado, A. R. Garcia, L. M. Ilharco, J. Marcos, M. Anastácio, L. F. G. Martins, E. J. M. Filipe:
"Liquid Mixtures Involving Hydrogenated and Fluorinated Alcohols: Thermodynamics, Spectroscopy, and Simulation"
J. Phys. Chem. B 2016, 120 (38), 10091–10105.     (DOI 10.1021/acs.jpcb.6b04297 ) ⭳ Bib

— Author List —

Only showing results by author “Filipe, E. J. M.”. Show all citations.

Go to Article List, go to Journal List.

19 different authors contributed to the 4 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
4(show)Filipe, E. J. M.
4(show)Morgado, P.
3(show)Martins, L. F. G.
2(show)Silva, G. M. C.
1(show)Anastácio, M.
1(show)Besnard, M.
1(show)Cabaço, M. I.
1(show)Celia-Silva, L. G.
1(show)Coutinho, J. A. P.
1(show)Cruz, C.
1(show)Danten, Y.
1(show)Garcia, A. R.
1(show)Haley, J. D.
1(show)Ilharco, L. M.
1(show)Lucas, E. F.
1(show)Marcos, J.
1(show)McCabe, C.
1(show)Montoya, V. M. T.
1(show)Vilela, P. B.

— Journal List —

Only showing results by author “Filipe, E. J. M.”. Show all citations.

Go to Article List, go to Author List.

The 4 articles shown above were published in 3 different journals.

CitationsJournal Name
2(show)J. Phys. Chem. B
1(show)Energy Fuels
1(show)Fluid Phase Equilib.