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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.

Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018).


— Work Citing TRAVIS —

This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 457 such publications, written by 1009 different authors.
433 out of these (94.75 %) actually used TRAVIS for results in the manuscript.

Only showing results in journal “ACS Omega”. Show all citations.

Go to Author List, go to Journal List.

5 citations match the query.  Show continuous list view.

— 2019 —

5 R. Gupta, T. R. Kartha, B. S. Mallik:
"Solvation Structure and Dynamics of Alkali Metal Halides in an Ionic Liquid from Classical Molecular Dynamics Simulations"
ACS Omega 2019, 4 (22), 19556–19564.     (DOI 10.1021/acsomega.9b01672 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2018 —

4 R. Biswas, P. Ghosh, T. Banerjee, S. M. Ali, A. K. S. Deb:
"Interfacial Behavior of Cs+, K+, Na+, and Rb+ Extraction in the Presence of Dibenzo-18-crown-6 from the Nitrobenzene–Water Biphasic System: Experimental, Quantum Chemical, and Molecular Dynamic Studies"
ACS Omega 2018, 3 (2), 1663–1674.     (DOI 10.1021/acsomega.7b01828 ) ⭳ Bib
Uses TRAVIS for SDF.
3 R. Macchieraldo, L. Esser, R. Elfgen, P. Voepel, S. Zahn, B. M. Smarsly, B. Kirchner:
"Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water"
ACS Omega 2018, 3 (8), 8567–8582.     (DOI 10.1021/acsomega.8b00995 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr, Voro, Power.
2 P. Kumari, Shobhna, S. Kaur, H. K. Kashyap:
"Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study"
ACS Omega 2018, 3 (11), 15246–15255.     (DOI 10.1021/acsomega.8b02447 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2017 —

1 D. S. Firaha, A. V. Gibalova, O. Hollóczki:
"Basic Phosphonium Ionic Liquids as Wittig Reagents"
ACS Omega 2017, 2 (6), 2901–2911.     (DOI 10.1021/acsomega.7b00230 ) ⭳ Bib
Uses TRAVIS for RDF.


— Author List —

Go to Article List, go to Journal List.

22 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
1(show)Ali, S. M.
1(show)Banerjee, T.
1(show)Biswas, R.
1(show)Deb, A. K. S.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Gupta, R.
1(show)Hollóczki, O.
1(show)Firaha, D. S.
1(show)Ghosh, P.
1(show)Gibalova, A. V.
1(show)Kartha, T. R.
1(show)Kashyap, H. K.
1(show)Kaur, S.
1(show)Kirchner, B.
1(show)Kumari, P.
1(show)Macchieraldo, R.
1(show)Mallik, B. S.
1(show)Shobhna,
1(show)Smarsly, B. M.
1(show)Voepel, P.
1(show)Zahn, S.

— Journal List —

Go to Article List, go to Author List.

The 5 articles shown above were published in 1 different journals.

CitationsJournal Name
5(show)ACS Omega

Quick Links:

TRAVIS ORCA MD Spectroscopy bqb Format