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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

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).


— Work Citing TRAVIS —

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

Go to Author List, go to Journal List.

6 citations match the query.  Show continuous list view.

— 2020 —

6 M. H. Dokoohaki, F. Mohammadpour, A. R. Zolghadr:
"New Insight into Electrosynthesis of Ordered TiO2 Nanotubes in Eg-based Electrolyte Solutions: Combined Experimental and Computational Assessment"
Phys. Chem. Chem. Phys. 2020, 22 (39), 22719–22727.     (DOI 10.1039/D0CP03684F ) ⭳ Bib
Uses TRAVIS for Aggr.
5 M. H. Dokoohaki, A. R. Zolghadr, M. H. Ghatee, A. Klein:
"Aqueous Solutions of Binary Ionic Liquids: Insight into Structure, Dynamics, and Interface Properties by Molecular Dynamics Simulations and DFT Methods"
Phys. Chem. Chem. Phys. 2020, 22 (47), 27882–27895.     (DOI 10.1039/D0CP04303F ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, DProf.
4 M. H. Dokoohaki, A. R. Zolghadr, A. Klein:
"Impact of the Chemical Structure on the Distribution of Neuroprotective N-Alkyl-9H-carbazoles at Octanol/Water Interfaces"
New J. Chem. 2020, 44 (4), 1211–1220.     (DOI 10.1039/C9NJ04251B ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, DProf.

— 2019 —

3 K. Butsch, A. Sandleben, M. H. Dokoohaki, A. R. Zolghadr, A. Klein:
"Pyridine-2,6-dicarboxylic Acid Esters (pydicR2) As O,N,O-Pincer Ligands in CuII Complexes"
Inorganics 2019, 7 (4), 53.     (DOI 10.3390/inorganics7040053 ) ⭳ Bib
Uses TRAVIS for CDF.

— 2018 —

2 F. Mohammadpour, M. H. Dokoohaki, A. R. Zolghadr, M. H. Ghatee, M. Moradi:
"Confinement of Aqueous Mixtures of Ionic Liquids between Amorphous TiO2 Slit Nanopores: Electrostatic Field Induction"
Phys. Chem. Chem. Phys. 2018, 20 (46), 29493–29502.     (DOI 10.1039/C8CP04500C ) ⭳ Bib
Uses TRAVIS for Aggr.

— 2016 —

1 A. R. Zolghadr, M. H. Dokoohaki:
"Self-Assembly of Neuroprotective Carbazolium Based Small Molecules at Octane/Water Interface: A Simulation Investigation"
Chem. Phys. 2016, 480, 1–11.     (DOI 10.1016/j.chemphys.2016.10.008 ) ⭳ Bib
Uses TRAVIS for CDF.


— Author List —

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

Go to Article List, go to Journal List.

8 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Dokoohaki, M. H.
6(show)Zolghadr, A. R.
3(show)Klein, A.
2(show)Ghatee, M. H.
2(show)Mohammadpour, F.
1(show)Butsch, K.
1(show)Moradi, M.
1(show)Sandleben, A.

— Journal List —

Only showing results by author “Dokoohaki, M. H.”. 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)Phys. Chem. Chem. Phys.
1(show)Chem. Phys.
1(show)Inorganics
1(show)New J. Chem.