TRAVIS - Trajectory Analyzer and Visualizer

© AK Kirchner

TRAVIS is a free tool for analyzing and visualizing trajectories from all kinds of Molecular Dynamics or Monte Carlo simulations by Martin Brehm (, Martin Thomas, and Barbara Kirchner.



The source code, a short documentation and further informations are also available on the TRAVIS homepage:


Articles about TRAVIS:

  • M. Brehm, B. Kirchner
    TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories,
    J. Chem. Inf. Model., (2011), 51, 2007-2023
    DOI: 10.1021/ci200217w
  • M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner
    Computing vibrational spectra from ab initio molecular dynamics
    Phys. Chem. Chem. Phys., (2013), 15, 6608-6622
    DOI: 10.1039/C3CP44302G
  • M. Thomas, M. Brehm, O. Hollóczki, Z. Kelemen, L. Nylászi, T. Pasinszki, B. Kirchner
    Simulating the vibrational spectra of ionic liquid systems: 1-Ethyl-3-methylimidazolium acetate and its mixtures
    J. Chem. Phys. (2014), 141, 024510
    DOI: 10.1063/1.4887082
  • M. Thomas, M.Brehm, B. Kirchner
    Voronoi dipole moments for the simulation of bulk phase vibrational spectra
    Phys. Chem. Chem. Phys., (2015), 17, 3207-3213
    DOI: 10.1039/C4CP05272B
  • M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner
    Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids
    ChemPhysChem, (2015), 16 , 3271-3277
    DOI: 10.1002/cphc.201500471
  • O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner
    Triphilic Ionic-Liquid Mixtures: Fluorinated and Nonfluorinated Aprotic Ionic-Liquid Mixtures
    ChemPhysChem (2015), 16, 3325-3333
    DOI: 10.1002/cphc.201500473
  • M. Thomas, B. Kirchner
    Classical Magnetic Dipole Moments for the Simulation of Vibrational Circular Dichroism by Ab Initio Molecular Dynamics
    J. Phys. Chem. Lett. (2016), 7, 509-513
    DOI: 10.1021/acs.jpclett.5b02752
  • S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner
    Structure and lifetimes in ionic liquids and their mixtures
    Faraday Discuss. (2018), 206, 219-245.
    DOI: 10.1039/C7FD00166E
  • S. Gehrke, R. Macchieraldo, B. Kirchner
    Understanding the fluidity of condensed phase systems in terms of voids – Novel algorithm, implementation and application
    Phys. Chem. Chem. Phys. (2019), 21, 4988-4997.
    DOI: 10.1039/C8CP07120A
  • M. Brehm, M. Thomas, S. Gehrke, B. Kirchner
    TRAVIS — A free analyzer for trajectories from molecular simulation
    J. Chem. Phys. (2020), 152 164105.
    DOI: 10.1063/5.0005078


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