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 —

This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 503 such publications, written by 1123 different authors.
477 out of these (94.83 %) 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.

12 citations match the query.  Show continuous list view.

— 2020 —

12 I. I. Chip J. Smith, D. V. Wagle, N. Bhawawet, S. Gehrke, O. Hollóczki, S. V. Pingali, H. O’Neill, G. A. Baker:
"Combined Small-Angle Neutron Scattering, Diffusion NMR, and Molecular Dynamics Study of a Eutectogel: Illuminating the Dynamical Behavior of Glyceline Confined in Bacterial Cellulose Gels"
J. Phys. Chem. B 2020, 124 (35), 7647–7658.     (DOI 10.1021/acs.jpcb.0c04916 ) ⭳ Bib
Uses TRAVIS for RDF,
11 B. Demir, K.-Y. Chan, D. J. Searles:
"Structural Electrolytes Based on Epoxy Resins and Ionic Liquids: A Molecular-Level Investigation"
Macromolecules 2020, 53 (18), 7635–7649.     (DOI 10.1021/acs.macromol.0c00824 ) ⭳ Bib
Uses TRAVIS for
10 V. Koverga, N. Maity, F. A. Miannay, O. N. Kalugin, A. Juhasz, A. Świątek, K. Polok, T. Takamuku, P. Jedlovszky, A. Idrissi:
"Voronoi Polyhedra As a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-Methylimidazolium Cation-Based Ionic Liquids"
J. Phys. Chem. B 2020, 124 (46), 10419–10434.     (DOI 10.1021/acs.jpcb.0c07398 ) ⭳ Bib
Uses TRAVIS for RDF, SFac,
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
, 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,
, 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
, 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,

— 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,
, 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,
, 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,
, 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

— 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

— Author List —

Go to Article List, go to Journal List.

40 different authors contributed to the 12 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Kirchner, B.
3(show)Gehrke, S.
3(show)Hollóczki, O.
3(show)Firaha, D. S.
2(show)Brehm, M.
2(show)Macchieraldo, R.
1(show)Baker, G. A.
1(show)Bhawawet, N.
1(show)Chan, K.-Y.
1(show)Chip Smith, I. I. J.
1(show)Cybik, R.
1(show)Demir, B.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Friedrich, J.
1(show)Idrissi, A.
1(show)Jayaraman, A.
1(show)Jedlovszky, P.
1(show)Juhasz, A.
1(show)Kalugin, O. N.
1(show)Kapoor, U.
1(show)Kavalchuk, M.
1(show)Koverga, V.
1(show)Maity, N.
1(show)Mallik, B. S.
1(show)Miannay, F. A.
1(show)O’Neill, H.
1(show)Pingali, S. V.
1(show)Polok, K.
1(show)Reddy, T. D. N.
1(show)Searles, D. J.
1(show)Sebastiani, D.
1(show)Smarsly, B. M.
1(show)Stark, A.
1(show)Świątek, A.
1(show)Takamuku, T.
1(show)Voepel, P.
1(show)Wagle, D. V.
1(show)Wild, M.
1(show)Zahn, S.

— Journal List —

Go to Article List, go to Author List.

The 12 articles shown above were published in 8 different journals.

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