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).

— Work Citing TRAVIS —

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

Go to Author List, go to Journal List.

11 citations match the query.  Show continuous list view.

— 2021 —

11 Q. Guo, Q. Liu, Y. Zhao:
"Insights into the Structure and Dynamics of Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures: A Molecular Dynamics Approach"
Nanomaterials 2021, 11 (10), 2512.     (DOI 10.3390/nano11102512 ) ⭳ Bib
10 S. Gehrke, P. Ray, T. Stettner, A. Balducci, B. Kirchner:
"Water in Protic Ionic Liquid Electrolytes: From Solvent Separated Ion Pairs to Water Clusters"
ChemSusChem 2021, 14 (16), 3315–3324.     (DOI 10.1002/cssc.202100660 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr, MSD,
, Domain.
9 M. Torkzadeh, M. Moosavi:
"Heterogeneity in Microstructures and Dynamics of Dicationic Ionic Liquids with Symmetric and Asymmetric Cations"
J. Mol. Liq. 2021, 330, 115632.     (DOI 10.1016/j.molliq.2021.115632 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, SFac, Aggr, MSD,
, Domain.

— 2020 —

8 M. Torkzadeh, M. Moosavi:
"Probing the Effect of Side Alkyl Chain Length on the Structural and Dynamical Micro-Heterogeneities in Dicationic Ionic Liquids"
J. Phys. Chem. B 2020, 124 (50), 11446–11462.     (DOI 10.1021/acs.jpcb.0c07034 ) ⭳ Bib
Uses TRAVIS for SDF, CDF, SFac, Aggr,
, Domain.
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, 22, 10738–10752.     (DOI 10.1039/C9CP06473G ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr, MSD,

— 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
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,
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,

— 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

— 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

— 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,

— Author List —

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

Go to Article List, go to Journal List.

35 different authors contributed to the 11 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Brehm, M.
2(show)Gehrke, S.
2(show)Kirchner, B.
2(show)Moosavi, M.
2(show)Sebastiani, D.
2(show)Torkzadeh, M.
1(show)Aoun, B.
1(show)Baker, G. A.
1(show)Balducci, 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)Guo, Q.
1(show)Heitz, M. P.
1(show)Hollóczki, O.
1(show)Kohagen, M.
1(show)Kowsari, M. H.
1(show)Liu, Q.
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)Ray, P.
1(show)Russina, O.
1(show)Smith, C. J.
1(show)Stettner, T.
1(show)Thar, J.
1(show)Triolo, A.
1(show)Wagle, D. V.
1(show)Zhao, W.
1(show)Zhao, Y.

— Journal List —

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

Go to Article List, go to Author List.

The 11 articles shown above were published in 7 different journals.

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