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 (https://brehm-research.de/), Martin Thomas, and Barbara Kirchner.
Downloads
- TRAVIS Source Code (.tar.gz)
TRAVIS (Change date: 29/07/2022) (TRAVIS Changelog on travis-analyzer.de) - Precompiled Windows Executable (64 bit, ZIP file, preferred version)
TRAVIS (Change date: 29/07/2022) (TRAVIS Changelog on travis-analyzer.de) - Precompiled Windows Executable (32 bit, ZIP file, compatibility version)
TRAVIS (Change date: 29/07/2022) (TRAVIS Changelog on travis-analyzer.de) - Quick Start Guide (PDF)
- Tutorial: How to calculate infrared and Raman spectra from MD
The source code, a short documentation and further informations are also available on the TRAVIS homepage: www.travis-analyzer.de
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