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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.

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 431 such publications, written by 957 different authors.
407 out of these (94.43 %) actually used TRAVIS for results in the manuscript.

Only showing work with “Vector Reorientation Dynamics / Rotational Relaxation Times” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

7 citations match the query.  Show continuous list view.

— 2020 —

7 C. Dreßler, D. Sebastiani:
"Effect of Anion Reorientation on Proton Mobility in the Solid Acids Family CsHyXO4 (X = S, P, Se, y = 1, 2) from ab initio Molecular Dynamics Simulations"
Phys. Chem. Chem. Phys. 2020, accepted.     (DOI 10.1039/C9CP06473G ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr, MSD,
RDyn
.

— 2018 —

6 M. H. Kowsari, S. Ebrahimi:
"Capturing the Effect of [PF3(C2F5)3]− vs. [PF6]− , Flexible Anion vs. Rigid, and Scaled Charge vs. Unit on the Transport Properties of [BMIm]+ -Based Ionic Liquids: A Comparative MD Study"
Phys. Chem. Chem. Phys. 2018, 20 (19), 13379–13393.     (DOI 10.1039/C8CP01700J ) ⭳ Bib
Uses TRAVIS for
RDyn
.
5 C. J. Smith, S. Gehrke, O. Hollóczki, D. V. Wagle, M. P. Heitz, G. A. Baker:
"NMR Relaxometric Probing of Ionic Liquid Dynamics and Diffusion under Mesoscopic Confinement within Bacterial Cellulose Ionogels"
J. Chem. Phys. 2018, 148 (19), 193845.     (DOI 10.1063/1.5016337 ) ⭳ Bib
Uses TRAVIS for RDF, DProf, Aggr, MSD,
RDyn
.
4 S. A. Pylaeva, M. Brehm, D. Sebastiani:
"Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect"
Sci. Rep. 2018, 8 (1), 13626.     (DOI 10.1038/s41598-018-31935-z ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Aggr, MSD,
RDyn
.

— 2017 —

3 M. Macchiagodena, G. D. Frate, G. Brancato, B. Chandramouli, G. Mancini, V. Barone:
"Computational Study of the DPAP Molecular Rotor in Various Environments: From Force Field Development to Molecular Dynamics Simulations and Spectroscopic Calculations"
Phys. Chem. Chem. Phys. 2017, 19 (45), 30590–30602.     (DOI 10.1039/C7CP04688J ) ⭳ Bib
Uses TRAVIS for RDF, MSD,
RDyn
.

— 2016 —

2 F. Lo Celso, B. Aoun, A. Triolo, O. Russina:
"Liquid Structure of Dibutyl Sulfoxide"
Phys. Chem. Chem. Phys. 2016, 18 (23), 15980–15987.     (DOI 10.1039/C6CP02335E ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, SFac, MSD,
RDyn
.

— 2011 —

1 M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, B. Kirchner:
"Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide"
J. Phys. Chem. B 2011, 115 (4), 693–702.     (DOI 10.1021/jp109612k ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Aggr,
RDyn
.


— Author List —

Go to Article List, go to Journal List.

27 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Brehm, M.
2(show)Sebastiani, D.
1(show)Aoun, B.
1(show)Baker, G. A.
1(show)Barone, V.
1(show)Brancato, G.
1(show)Chandramouli, B.
1(show)Dreßler, C.
1(show)Ebrahimi, S.
1(show)Frate, G. D.
1(show)Gehrke, S.
1(show)Heitz, M. P.
1(show)Hollóczki, O.
1(show)Kirchner, B.
1(show)Kohagen, M.
1(show)Kowsari, M. H.
1(show)Lo Celso, F.
1(show)Macchiagodena, M.
1(show)Mancini, G.
1(show)Müller-Plathe, F.
1(show)Pylaeva, S. A.
1(show)Russina, O.
1(show)Smith, C. J.
1(show)Thar, J.
1(show)Triolo, A.
1(show)Wagle, D. V.
1(show)Zhao, W.

— Journal List —

Go to Article List, go to Author List.

The 7 articles shown above were published in 4 different journals.

CitationsJournal Name
4(show)Phys. Chem. Chem. Phys.
1(show)J. Chem. Phys.
1(show)J. Phys. Chem. B
1(show)Sci. Rep.

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TRAVIS ORCA MD Spectroscopy bqb Format