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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

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

Go to Author List, go to Journal List.

4 citations match the query.  Show continuous list view.

— 2022 —

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.

— 2020 —

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.

— 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
Uses TRAVIS.
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
Uses TRAVIS.


— 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
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.
4(show)Filipe, E. J. M.
1(show)Lucas, E. F.
1(show)Marcos, J.
3(show)Martins, L. F. G.
1(show)McCabe, C.
1(show)Montoya, V. M. T.
4(show)Morgado, P.
2(show)Silva, G. M. C.
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.