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 “Int. J. Quantum Chem.”. Show all citations.

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5 citations match the query.  Show continuous list view.

— 2020 —

5 O. Hollóczki:
"Evidence for Protein Misfolding in the Presence of Nanoplastics"
Int. J. Quantum Chem. 2020, e26372.     (DOI 10.1002/qua.26372 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2019 —

4 T. Giovannini, M. Macchiagodena, M. Ambrosetti, A. Puglisi, P. Lafiosca, G. L. Gerfo, F. Egidi, C. Cappelli:
"Simulating Vertical Excitation Energies of Solvated Dyes: From Continuum to Polarizable Discrete Modeling"
Int. J. Quantum Chem. 2019, 119 (1), e25684.     (DOI 10.1002/qua.25684 ) ⭳ Bib
Uses TRAVIS for RDF.
3 I. Petrović, B. Milovanović, M. Etinski, M. Petković:
"Theoretical Scrutinization of Nine Benzoic Acid Dimers: Stability and Energy Decomposition Analysis"
Int. J. Quantum Chem. 2019, 119 (13), e25918.     (DOI 10.1002/qua.25918 ) ⭳ Bib

— 2018 —

2 M. Macchiagodena, G. Mancini, M. Pagliai, G. Cardini, V. Barone:
"New Atomistic Model of Pyrrole with Improved Liquid State Properties and Structure"
Int. J. Quantum Chem. 2018, 118 (9), e25554.     (DOI 10.1002/qua.25554 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, 3D CDF, SFac, Aggr.
1 P. Rejmak, J. Datka, E. Broclawik:
"Fine Speciation of Active Sites in Zeolites by a CO Probe: Dynamics and IR Frequencies"
Int. J. Quantum Chem. 2018, 118 (16), e25625.     (DOI 10.1002/qua.25625 ) ⭳ Bib
Uses TRAVIS for Power.

— Author List —

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

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20 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Macchiagodena, M.
1(show)Ambrosetti, M.
1(show)Barone, V.
1(show)Broclawik, E.
1(show)Cappelli, C.
1(show)Cardini, G.
1(show)Datka, J.
1(show)Etinski, M.
1(show)Hollóczki, O.
1(show)Gerfo, G. L.
1(show)Giovannini, T.
1(show)Egidi, F.
1(show)Lafiosca, P.
1(show)Mancini, G.
1(show)Milovanović, B.
1(show)Pagliai, M.
1(show)Petković, M.
1(show)Petrović, I.
1(show)Puglisi, A.
1(show)Rejmak, P.

— Journal List —

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

Go to Article List, go to Author List.

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

CitationsJournal Name
5(show)Int. J. Quantum Chem.