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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

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 405 such publications, written by 833 different authors.
384 out of these (94.81 %) 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