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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 —

This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 539 such publications, written by 1201 different authors.
512 out of these (94.99 %) actually used TRAVIS for results in the manuscript.

Only showing results by author “Zolghadr, A. R.”. Show all citations.

Go to Author List, go to Journal List.

9 citations match the query.  Show continuous list view.

— 2020 —

9 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.
8 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.
7 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 —

6 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 —

5 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 —

4 A. R. Zolghadr, M. H. Ghatee, F. Moosavi:
"The Effect of Various Quantum Mechanically Derived Partial Atomic Charges on the Bulk Properties of Chloride-Based Ionic Liquids"
Chem. Phys. 2016, 475, 23–31.     (DOI 10.1016/j.chemphys.2016.05.022 ) ⭳ Bib
Uses TRAVIS for SDF.
3 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.

— 2015 —

2 M. H. Ghatee, S. Namvar, A. R. Zolghadr, F. Moosavi:
"Why Is the Electroanalytical Performance of Carbon Paste Electrodes Involving an Ionic Liquid Binder Higher Than Paraffinic Binders? A Simulation Investigation"
Phys. Chem. Chem. Phys. 2015, 17 (38), 24722–24731.     (DOI 10.1039/C5CP02683K ) ⭳ Bib
Uses TRAVIS for SDF.

— 2012 —

1 M. H. Ghatee, A. R. Zolghadr, F. Moosavi, Y. Ansari:
"Studies of Structural, Dynamical, and Interfacial Properties of 1-Alkyl-3-methylimidazolium Iodide Ionic Liquids by Molecular Dynamics Simulation"
J. Chem. Phys. 2012, 136 (12), 124706.     (DOI 10.1063/1.3696004 ) ⭳ Bib
Uses TRAVIS for SDF.


— Author List —

Go to Article List, go to Journal List.

11 different authors contributed to the 9 articles shown above.

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

— Journal List —

Go to Article List, go to Author List.

The 9 articles shown above were published in 5 different journals.

CitationsJournal Name
4(show)Phys. Chem. Chem. Phys.
2(show)Chem. Phys.
1(show)Inorganics
1(show)J. Chem. Phys.
1(show)New J. Chem.