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.

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 “J. Phys. Chem. A”. Show all citations.

Go to Author List, go to Journal List.

6 citations match the query.  Show continuous list view.

— 2020 —

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

— 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

— 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
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 —

Go to Article List, go to Journal List.

15 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Mallik, B. S.
1(show)Acevedo, O.
1(show)Benassi, P.
1(show)Bertucci, C.
1(show)Dasari, S.
1(show)Ensing, B.
1(show)Etinski, M.
1(show)Kirchner, B.
1(show)Nardone, M.
1(show)Priyadarsini, A.
1(show)Ramondo, F.
1(show)Tanzi, L.
1(show)Tedesco, D.
1(show)Thummuru, D. N. R.
1(show)Zanasi, R.

— 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)J. Phys. Chem. A

Quick Links:

TRAVIS ORCA MD Spectroscopy bqb Format