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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 “Firaha, D. S.”. Show all citations.

Go to Author List, go to Journal List.

8 citations match the query.  Show continuous list view.

— 2017 —

8 A. Korotkevich, D. S. Firaha, A. A. H. Pádua, B. Kirchner:
"Ab initio Molecular Dynamics Simulations of SO2 Solvation in Choline Chloride/Glycerol Deep Eutectic Solvent"
Fluid Phase Equilib. 2017, 448, 59–68.     (DOI 10.1016/j.fluid.2017.03.024 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
7 D. S. Firaha, A. V. Gibalova, O. Hollóczki:
"Basic Phosphonium Ionic Liquids as Wittig Reagents"
ACS Omega 2017, 2 (6), 2901–2911.     (DOI 10.1021/acsomega.7b00230 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2016 —

6 D. S. Firaha, B. Kirchner:
"Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids"
ChemSusChem 2016, 9 (13), 1591–1599.     (DOI 10.1002/cssc.201600126 ) ⭳ Bib
Uses TRAVIS for CDF.
5 D. S. Firaha, M. Thomas, O. Hollóczki, M. Korth, B. Kirchner:
"Can Dispersion Corrections Annihilate the Dispersion-Driven Nano-Aggregation of Non-Polar Groups? An ab initio Molecular Dynamics Study of Ionic Liquid Systems"
J. Chem. Phys. 2016, 145 (20), 204502.     (DOI 10.1063/1.4967861 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, MSD, Domain, Spec.

— 2015 —

4 D. S. Firaha, M. Kavalchuk, B. Kirchner:
"SO2 Solvation in the 1-Ethyl-3-methylimidazolium Thiocyanate Ionic Liquid by Incorporation into the Extended Cation–Anion Network"
J. Solution Chem. 2015, 44 (3-4), 838–849.     (DOI 10.1007/s10953-015-0321-5 ) ⭳ Bib
Uses TRAVIS for RDF, Voro, Power.
3 B. Kirchner, F. Malberg, D. S. Firaha, O. Hollóczki:
"Ion Pairing in Ionic Liquids"
J. Phys.: Condens. Matter 2015, 27 (46), 463002.     (DOI 10.1088/0953-8984/27/46/463002 ) ⭳ Bib
Uses TRAVIS for RDF, Aggr, MSD.

— 2014 —

2 D. S. Firaha, B. Kirchner:
"CO2 Absorption in the Protic Ionic Liquid Ethylammonium Nitrate"
J. Chem. Eng. Data 2014, 59 (10), 3098–3104.     (DOI 10.1021/je500166d ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Voro.

— 2013 —

1 O. Hollóczki, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner:
"Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?"
J. Phys. Chem. B 2013, 117 (19), 5898–5907.     (DOI 10.1021/jp4004399 ) ⭳ Bib
Uses TRAVIS for SDF, CDF, Voro.


— Author List —

Only showing results by author “Firaha, D. S.”. Show all citations.

Go to Article List, go to Journal List.

15 different authors contributed to the 8 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
8(show)Firaha, D. S.
7(show)Kirchner, B.
4(show)Hollóczki, O.
1(show)Brehm, M.
1(show)Cybik, R.
1(show)Friedrich, J.
1(show)Gibalova, A. V.
1(show)Kavalchuk, M.
1(show)Korotkevich, A.
1(show)Korth, M.
1(show)Malberg, F.
1(show)Pádua, A. A. H.
1(show)Stark, A.
1(show)Thomas, M.
1(show)Wild, M.

— Journal List —

Only showing results by author “Firaha, D. S.”. Show all citations.

Go to Article List, go to Author List.

The 8 articles shown above were published in 8 different journals.

CitationsJournal Name
1(show)ACS Omega
1(show)ChemSusChem
1(show)Fluid Phase Equilib.
1(show)J. Chem. Eng. Data
1(show)J. Chem. Phys.
1(show)J. Phys.: Condens. Matter
1(show)J. Phys. Chem. B
1(show)J. Solution Chem.