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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).


— Work Citing TRAVIS —

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

Go to Author List, go to Journal List.

10 citations match the query.  Show continuous list view.

— 2021 —

10 M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering:
"Switching between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction between 7-Hydroxyquinoline and Formate"
J. Phys. Chem. A 2021, 125 (9), 1845–1859.     (DOI 10.1021/acs.jpca.0c10191 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.

— 2020 —

9 Z. Jamshidi, O. V. Lushchikova, J. M. Bakker, L. Visscher:
"Not Completely Innocent: How Argon Binding Perturbs Cationic Copper Clusters"
J. Phys. Chem. A 2020, 124 (43), 9004–9010.     (DOI 10.1021/acs.jpca.0c07771 ) ⭳ Bib
Uses TRAVIS for Spec.
8 E. S. Frank, H. Fan, M. Shrestha, S. Riahi, D. J. Tobias, V. H. Grassian:
"Impact of Adsorbed Water on the Interaction of Limonene with Hydroxylated SiO2: Implications of Π-Hydrogen Bonding for Surfaces in Humid Environments"
J. Phys. Chem. A 2020, 124 (50), 10592–10599.     (DOI 10.1021/acs.jpca.0c08600 ) ⭳ Bib
Uses TRAVIS for Power.
7 H. J. Zeng, T. Khuu, S. D. Chambreau, J. A. Boatz, G. L. Vaghjiani, M. A. Johnson:
"Ionic Liquid Clusters Generated from Electrospray Thrusters: Cold Ion Spectroscopic Signatures of Size-Dependent Acid–Base Interactions"
J. Phys. Chem. A 2020, 124 (50), 10507–10516.     (DOI 10.1021/acs.jpca.0c07595 ) ⭳ Bib
Uses TRAVIS for Spec.
6 A. Priyadarsini, S. Dasari, B. S. Mallik:
"Thermophysical Properties and Angular Jump Dynamics of Water: A Comparative DFT and DFT-Dispersion-Based Molecular Dynamics Study"
J. Phys. Chem. A 2020, 124 (29), 6039–6049.     (DOI 10.1021/acs.jpca.0c02909 ) ⭳ Bib
Uses TRAVIS for RDF, CDF.

— 2018 —

5 M. Etinski, B. Ensing:
"Puzzle of the Intramolecular Hydrogen Bond of Dibenzoylmethane Resolved by Molecular Dynamics Simulations"
J. Phys. Chem. A 2018, 122 (28), 5945–5954.     (DOI 10.1021/acs.jpca.8b01930 ) ⭳ Bib
Uses TRAVIS for Power, Spec.

— 2017 —

4 D. N. R. Thummuru, B. S. Mallik:
"Structure and Dynamics of Hydroxyl-Functionalized Protic Ammonium Carboxylate Ionic Liquids"
J. Phys. Chem. A 2017, 121 (42), 8097–8107.     (DOI 10.1021/acs.jpca.7b05995 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.

— 2014 —

3 D. Tedesco, R. Zanasi, B. Kirchner, C. Bertucci:
"Short-Range Solvation Effects on Chiroptical Properties: A Time-Dependent Density Functional Theory and ab initio Molecular Dynamics Computational Case Study on Austdiol"
J. Phys. Chem. A 2014, 118 (50), 11751–11757.     (DOI 10.1021/jp511428v ) ⭳ Bib
Uses TRAVIS.
2 O. Acevedo:
"Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology"
J. Phys. Chem. A 2014, 118 (50), 11653–11666.     (DOI 10.1021/jp507967z ) ⭳ Bib
1 L. Tanzi, P. Benassi, M. Nardone, F. Ramondo:
"Vibrations of Bioionic Liquids by ab initio Molecular Dynamics and Vibrational Spectroscopy"
J. Phys. Chem. A 2014, 118 (51), 12229–12240.     (DOI 10.1021/jp5079949 ) ⭳ Bib
Uses TRAVIS for SDF.


— Author List —

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

Go to Article List, go to Journal List.

37 different authors contributed to the 10 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Mallik, B. S.
1(show)Acevedo, O.
1(show)Bakker, J. M.
1(show)Benassi, P.
1(show)Bertucci, C.
1(show)Boatz, J. A.
1(show)Brehm, M.
1(show)Chambreau, S. D.
1(show)Codescu, M.-A.
1(show)Dasari, S.
1(show)Ensing, B.
1(show)Etinski, M.
1(show)Fan, H.
1(show)Frank, E. S.
1(show)Grassian, V. H.
1(show)Jamshidi, Z.
1(show)Johnson, M. A.
1(show)Khuu, T.
1(show)Kirchner, B.
1(show)Kornilov, O.
1(show)Lushchikova, O. V.
1(show)Nardone, M.
1(show)Nibbering, E. T. J.
1(show)Priyadarsini, A.
1(show)Ramondo, F.
1(show)Riahi, S.
1(show)Sebastiani, D.
1(show)Shrestha, M.
1(show)Tanzi, L.
1(show)Tedesco, D.
1(show)Thummuru, D. N. R.
1(show)Tobias, D. J.
1(show)Vaghjiani, G. L.
1(show)Visscher, L.
1(show)Weiß, M.
1(show)Zanasi, R.
1(show)Zeng, H. J.

— Journal List —

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

Go to Article List, go to Author List.

The 10 articles shown above were published in 1 different journals.

CitationsJournal Name
10(show)J. Phys. Chem. A