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 by author “Biswas, S.”. Show all citations.

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6 citations match the query.  Show sub-lists per year.

6 S. Biswas, B. M. Wong:
"Ab initio Metadynamics Calculations Reveal Complex Interfacial Effects in Acetic Acid Deprotonation Dynamics"
J. Mol. Liq. 2021, 330, 115624.     (DOI 10.1016/j.molliq.2021.115624 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr.
5 S. Biswas, B. S. Mallik:
"Aqueous Hydroxyl Group as the Vibrational Probe to Access the Hydrophobicity of Amide Derivatives"
J. Mol. Liq. 2020, 301, 112395.     (DOI 10.1016/j.molliq.2019.112395 ) ⭳ Bib
4 S. Biswas, B. S. Mallik:
"Vibration Spectral Dynamics of Weakly Coordinating Water Molecules near an Anion: FPMD Simulations of an Aqueous Solution of Tetrafluoroborate"
J. Phys. Chem. B 2019, 123 (9), 2135–2146.     (DOI 10.1021/acs.jpcb.9b00069 ) ⭳ Bib
Uses TRAVIS for SDF.
3 S. Biswas, B. S. Mallik:
"Time-Dependent Vibrational Spectral Analysis of First Principles Trajectory of Methylamine with Wavelet Transform"
Phys. Chem. Chem. Phys. 2017, 19 (15), 9912–9922.     (DOI 10.1039/C7CP00412E ) ⭳ Bib
2 S. Biswas, B. S. Mallik:
"Ultrafast Vibrational Spectroscopy of Aqueous Solution of Methylamine from First Principles MD Simulations"
ChemistrySelect 2017, 2 (1), 74–83.     (DOI 10.1002/slct.201601391 ) ⭳ Bib
1 S. Biswas, B. S. Mallik:
"Aqueous Solvation of an Amide Molecule from First Principles Molecular Simulations: Structure, Hydrogen Bond Dynamics and Spectral Signature"
J. Mol. Liq. 2015, 212, 941–946.     (DOI 10.1016/j.molliq.2015.11.005 ) ⭳ Bib
Uses TRAVIS for CDF.

— Author List —

Only showing results by author “Biswas, S.”. Show all citations.

Go to Article List, go to Journal List.

3 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Biswas, S.
5(show)Mallik, B. S.
1(show)Wong, B. M.

— Journal List —

Only showing results by author “Biswas, S.”. Show all citations.

Go to Article List, go to Author List.

The 6 articles shown above were published in 4 different journals.

CitationsJournal Name
3(show)J. Mol. Liq.
1(show)J. Phys. Chem. B
1(show)Phys. Chem. Chem. Phys.