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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 413 such publications, written by 855 different authors.
391 out of these (94.67 %) actually used TRAVIS for results in the manuscript.

Only showing work with “Voronoi Statistics / Surface Coverage / Visualization” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

9 citations match the query.  Show continuous list view.

— 2020 —

9 U. Kapoor, A. Jayaraman:
"Self-Assembly of Allomelanin Dimers and the Impact of Poly(Ethylene Glycol) on the Assembly: A Molecular Dynamics Simulation Study"
J. Phys. Chem. B 2020, 124 (13), 2702–2714.     (DOI 10.1021/acs.jpcb.0c00226 ) ⭳ Bib
Uses TRAVIS for
Voro
, Domain.
8 O. Hollóczki, S. Gehrke:
"Can Nanoplastics Alter Cell Membranes?"
ChemPhysChem 2020, 21 (1), 9–12.     (DOI 10.1002/cphc.201900481 ) ⭳ Bib
Uses TRAVIS for RDF,
Voro
, Domain.
7 T. D. N. Reddy, B. S. Mallik:
"Heterogeneity in the Microstructure and Dynamics of Tetraalkylammonium Hydroxide Ionic Liquids: Insight from Classical Molecular Dynamics Simulations and Voronoi Tessellation Analysis"
Phys. Chem. Chem. Phys. 2020, 22 (6), 3466–3480.     (DOI 10.1039/C9CP06796E ) ⭳ Bib
Uses TRAVIS for SDF, CDF,
Voro
, Domain.

— 2019 —

6 S. Gehrke, R. Macchieraldo, B. Kirchner:
"Understanding the Fluidity of Condensed Phase Systems in Terms of Voids—Novel Algorithm, Implementation and Application"
Phys. Chem. Chem. Phys. 2019, 21 (9), 4988–4997.     (DOI 10.1039/C8CP07120A ) ⭳ Bib
Uses TRAVIS for RDF, Aggr,
Voro
.

— 2018 —

5 M. Brehm, D. Sebastiani:
"Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-methylimidazolium Acetate"
J. Chem. Phys. 2018, 148 (19), 193802.     (DOI 10.1063/1.5010342 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr,
Voro
, Power, NC.
4 R. Macchieraldo, L. Esser, R. Elfgen, P. Voepel, S. Zahn, B. M. Smarsly, B. Kirchner:
"Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water"
ACS Omega 2018, 3 (8), 8567–8582.     (DOI 10.1021/acsomega.8b00995 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr,
Voro
, Power.

— 2015 —

3 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.

— 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 —

Go to Article List, go to Journal List.

21 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Kirchner, B.
3(show)Firaha, D. S.
2(show)Brehm, M.
2(show)Gehrke, S.
2(show)Hollóczki, O.
2(show)Macchieraldo, R.
1(show)Cybik, R.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Friedrich, J.
1(show)Jayaraman, A.
1(show)Kapoor, U.
1(show)Kavalchuk, M.
1(show)Mallik, B. S.
1(show)Reddy, T. D. N.
1(show)Sebastiani, D.
1(show)Smarsly, B. M.
1(show)Stark, A.
1(show)Voepel, P.
1(show)Wild, M.
1(show)Zahn, S.

— Journal List —

Go to Article List, go to Author List.

The 9 articles shown above were published in 7 different journals.

CitationsJournal Name
2(show)J. Phys. Chem. B
2(show)Phys. Chem. Chem. Phys.
1(show)ACS Omega
1(show)ChemPhysChem
1(show)J. Chem. Eng. Data
1(show)J. Chem. Phys.
1(show)J. Solution Chem.

Quick Links:

TRAVIS ORCA MD Spectroscopy bqb Format