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 “Petković, M.”. Show all citations.

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

7 A. Stanojević, B. Milovanović, I. M. Stanković, M. Etinski, M. Petković:
"The Significance of the Metal Cation in Guanine-Quartet - Metalloporphyrin Complexes"
Phys. Chem. Chem. Phys. 2021, 23, 574–584.     (DOI 10.1039/D0CP05798C ) ⭳ Bib
Uses TRAVIS for Power.
6 M. M. Ristić, M. Petković, B. Milovanović, J. Belić, M. Etinski:
"New Hybrid Cluster-Continuum Model for pKa Values Calculations: Case Study of Neurotransmitters’ Amino Group Acidity"
Chem. Phys. 2019, 516, 55–62.     (DOI 10.1016/j.chemphys.2018.08.022 ) ⭳ Bib
Uses TRAVIS for RDF.
5 I. Petrović, B. Milovanović, M. Etinski, M. Petković:
"Theoretical Scrutinization of Nine Benzoic Acid Dimers: Stability and Energy Decomposition Analysis"
Int. J. Quantum Chem. 2019, 119 (13), e25918.     (DOI 10.1002/qua.25918 ) ⭳ Bib
4 B. Milovanović, J. Ilić, I. M. Stanković, M. Popara, M. Petković, M. Etinski:
"A Simulation of Free Radicals Induced Oxidation of Dopamine in Aqueous Solution"
Chem. Phys. 2019, 524, 26–30.     (DOI 10.1016/j.chemphys.2019.05.001 ) ⭳ Bib
3 B. Milovanović, I. M. Stanković, M. Petković, M. Etinski:
"Elucidating Solvent Effects on Strong Intramolecular Hydrogen Bond: DFT‐MD Study of Dibenzoylmethane in Methanol Solution"
ChemPhysChem 2019, 20 (21), 2852–2859.     (DOI 10.1002/cphc.201900704 ) ⭳ Bib
Uses TRAVIS for RDF.
2 B. Milovanović, M. Petković, M. Etinski:
"Raman Spectra of Aqueous Uracil Stacked Dimer: First Principle Molecular Dynamics Simulation"
Chem. Phys. Lett. 2018, 713, 15–20.     (DOI 10.1016/j.cplett.2018.10.015 ) ⭳ Bib
Uses TRAVIS for Spec.
1 B. Milovanović, M. Kojić, M. Petković, M. Etinski:
"New Insight into Uracil Stacking in Water from ab initio Molecular Dynamics"
J. Chem. Theory Comput. 2018, 14 (5), 2621–2632.     (DOI 10.1021/acs.jctc.8b00139 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Power, Spec.

— Author List —

Only showing results by author “Petković, M.”. Show all citations.

Go to Article List, go to Journal List.

11 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
7(show)Etinski, M.
7(show)Milovanović, B.
7(show)Petković, M.
3(show)Stanković, I. M.
1(show)Belić, J.
1(show)Ilić, J.
1(show)Kojić, M.
1(show)Petrović, I.
1(show)Popara, M.
1(show)Ristić, M. M.
1(show)Stanojević, A.

— Journal List —

Only showing results by author “Petković, M.”. Show all citations.

Go to Article List, go to Author List.

The 7 articles shown above were published in 6 different journals.

CitationsJournal Name
2(show)Chem. Phys.
1(show)Chem. Phys. Lett.
1(show)Int. J. Quantum Chem.
1(show)J. Chem. Theory Comput.
1(show)Phys. Chem. Chem. Phys.