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

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 413 such publications, written by 855 different authors.
391 out of these (94.67 %) actually used TRAVIS for results in the manuscript.

Only showing results in journal “Chem. Eur. J”. Show all citations.

Go to Author List, go to Journal List.

6 citations match the query.  Show continuous list view.

— 2019 —

6 D. Abdullin, N. Fleck, C. Klein, P. Brehm, S. Spicher, A. Lützen, S. Grimme, O. Schiemann:
"Synthesis of µ2-Oxo-Bridged Iron(III) Tetraphenylporphyrin-Spacer-Nitroxide Dimers and their Structural and Dynamics Characterization by Using EPR and MD Simulations"
Chem. Eur. J 2019, 25 (10), 2586–2596.     (DOI 10.1002/chem.201805016 ) ⭳ Bib
5 D. Abdullin, P. Brehm, N. Fleck, S. Spicher, S. Grimme, O. Schiemann:
"Pulsed EPR Dipolar Spectroscopy on Spin Pairs with One Highly Anisotropic Spin Center: The Low‐Spin Fe III Case"
Chem. Eur. J 2019, 25 (63), 14388–14398.     (DOI 10.1002/chem.201902908 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2018 —

4 P. Kraus, I. Frank:
"Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces"
Chem. Eur. J 2018, 24 (28), 7188–7199.     (DOI 10.1002/chem.201705867 ) ⭳ Bib
Uses TRAVIS for Power.
3 S. Gehrke, O. Hollóczki:
"Hydrogen Bonding of N-Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization"
Chem. Eur. J 2018, 24 (45), 11594–11604.     (DOI 10.1002/chem.201802286 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr.

— 2016 —

2 D. Scuderi, E. Bodo, B. Chiavarino, S. Fornarini, M. E. Crestoni:
"Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations"
Chem. Eur. J 2016, 22 (48), 17239–17250.     (DOI 10.1002/chem.201603298 ) ⭳ Bib
Uses TRAVIS for RDF, Power.

— 2014 —

1 M. Thomas, M. Brehm, O. Hollóczki, B. Kirchner:
"How Can a Carbene be Active in an Ionic Liquid?"
Chem. Eur. J 2014, 20 (6), 1622–1629.     (DOI 10.1002/chem.201303329 ) ⭳ Bib

— Author List —

Go to Article List, go to Journal List.

20 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Abdullin, D.
2(show)Brehm, P.
2(show)Fleck, N.
2(show)Grimme, S.
2(show)Hollóczki, O.
2(show)Schiemann, O.
2(show)Spicher, S.
1(show)Bodo, E.
1(show)Brehm, M.
1(show)Chiavarino, B.
1(show)Crestoni, M. E.
1(show)Fornarini, S.
1(show)Frank, I.
1(show)Gehrke, S.
1(show)Kirchner, B.
1(show)Klein, C.
1(show)Kraus, P.
1(show)Lützen, A.
1(show)Scuderi, D.
1(show)Thomas, M.

— Journal List —

Go to Article List, go to Author List.

The 6 articles shown above were published in 1 different journals.

CitationsJournal Name
6(show)Chem. Eur. J

Quick Links:

TRAVIS ORCA MD Spectroscopy bqb Format