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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

TRAVIS, which stands for Trajectory Analyzer and Visualizer, is a 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 405 such publications, written by 833 different authors.

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

Go to Author List, go to Journal List.

5 citations match the query.  Show continuous list view.

— 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 —

Go to Article List, go to Journal List.

13 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
1(show)Acevedo, O.
1(show)Benassi, P.
1(show)Bertucci, C.
1(show)Ensing, B.
1(show)Etinski, M.
1(show)Kirchner, B.
1(show)Mallik, B. S.
1(show)Nardone, M.
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 5 articles shown above were published in 1 different journals.

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

Quick Links:

TRAVIS ORCA MD Spectroscopy bqb Format