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 “J. Am. Chem. Soc.”. Show all citations.

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6 citations match the query.  Show continuous list view.

— 2022 —

6 F. Dorchies, A. Serva, D. Crevel, J. D. Freitas, N. Kostopoulos, M. Robert, O. Sel, M. Salanne, A. Grimaud:
"Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions"
J. Am. Chem. Soc. 2022, 144 (49), 22734–22746.     (DOI 10.1021/jacs.2c10764 ) ⭳ Bib
Uses TRAVIS for RDF, NI, DProf.

— 2021 —

5 M. Belotti, X. Lyu, L. Xu, P. Halat, N. Darwish, D. S. Silvester, C. Goh, E. I. Izgorodina, M. L. Coote, S. Ciampi:
"Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers"
J. Am. Chem. Soc. 2021, 143 (42), 17431–17440.     (DOI 10.1021/jacs.1c06385 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2020 —

4 L. Xu, E. I. Izgorodina, M. L. Coote:
"Ordered Solvents and Ionic Liquids Can Be Harnessed for Electrostatic Catalysis"
J. Am. Chem. Soc. 2020, 142 (29), 12826–12833.     (DOI 10.1021/jacs.0c05643 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2019 —

3 D. T. Bregante, A. M. Johnson, A. Y. Patel, E. Z. Ayla, M. J. Cordon, B. C. Bukowski, J. Greeley, R. Gounder, D. W. Flaherty:
"Cooperative Effects between Hydrophilic Pores and Solvents: Catalytic Consequences of Hydrogen Bonding on Alkene Epoxidation in Zeolites"
J. Am. Chem. Soc. 2019, 141 (18), 7302–7319.     (DOI 10.1021/jacs.8b12861 ) ⭳ Bib
2 I. Shumilin, C. Allolio, D. Harries:
"How Sugars Modify Caffeine Self-Association and Solubility: Resolving a Mechanism of Selective Hydrotropy"
J. Am. Chem. Soc. 2019, 141 (45), 18056–18063.     (DOI 10.1021/jacs.9b07056 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2018 —

1 J. C. C. Santos, F. R. Negreiros, L. S. Pedroza, G. M. Dalpian, P. B. Miranda:
"Interaction of Water with the Gypsum (010) Surface: Structure and Dynamics from Nonlinear Vibrational Spectroscopy and ab initio Molecular Dynamics"
J. Am. Chem. Soc. 2018, 140 (49), 17141–17152.     (DOI 10.1021/jacs.8b09907 ) ⭳ Bib
Uses TRAVIS for Spec.

— Author List —

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

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36 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Coote, M. L.
2(show)Izgorodina, E. I.
2(show)Xu, L.
1(show)Allolio, C.
1(show)Ayla, E. Z.
1(show)Belotti, M.
1(show)Bregante, D. T.
1(show)Bukowski, B. C.
1(show)Ciampi, S.
1(show)Cordon, M. J.
1(show)Crevel, D.
1(show)Dalpian, G. M.
1(show)Darwish, N.
1(show)Dorchies, F.
1(show)Flaherty, D. W.
1(show)Freitas, J. D.
1(show)Goh, C.
1(show)Gounder, R.
1(show)Grimaud, A.
1(show)Greeley, J.
1(show)Halat, P.
1(show)Harries, D.
1(show)Johnson, A. M.
1(show)Kostopoulos, N.
1(show)Lyu, X.
1(show)Miranda, P. B.
1(show)Negreiros, F. R.
1(show)Patel, A. Y.
1(show)Pedroza, L. S.
1(show)Robert, M.
1(show)Salanne, M.
1(show)Santos, J. C. C.
1(show)Sel, O.
1(show)Serva, A.
1(show)Shumilin, I.
1(show)Silvester, D. S.

— Journal List —

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

Go to Article List, go to Author List.

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

CitationsJournal Name
6(show)J. Am. Chem. Soc.