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 539 such publications, written by 1201 different authors.
512 out of these (94.99 %) actually used TRAVIS for results in the manuscript.

Only showing results in journal “Molecules”. Show all citations.

Go to Author List, go to Journal List.

11 citations match the query.  Show continuous list view.

— 2021 —

11 P. B. Ganta, O. Kühn, A. A. Ahmed:
"Ab initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and Goethite"
Molecules 2021, 26 (1), 160.     (DOI 10.3390/molecules26010160 ) ⭳ Bib
Uses TRAVIS for Spec.
10 L. Esser, R. Macchieraldo, R. Elfgen, M. Sieland, B. M. Smarsly, B. Kirchner:
"TiCl4 Dissolved in Ionic Liquid Mixtures from ab initio Molecular Dynamics Simulations"
Molecules 2021, 26 (1), 79.     (DOI 10.3390/molecules26010079 ) ⭳ Bib
Uses TRAVIS for RDF, NI, Aggr, MSD, Voro, Domain, Power.

— 2020 —

9 S. D. Muzio, F. Ramondo, L. Gontrani, F. Ferella, M. Nardone, P. Benassi:
"Choline Hydrogen Dicarboxylate Ionic Liquids by X-Ray Scattering, Vibrational Spectroscopy and Molecular Dynamics: H-Fumarate and H-Maleate and Their Conformations"
Molecules 2020, 25 (21), 4990.     (DOI 10.3390/molecules25214990 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
8 M. Weiß, M. Brehm:
"Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence"
Molecules 2020, 25 (24), 5861.     (DOI 10.3390/molecules25245861 ) ⭳ Bib
Uses TRAVIS for RDF, Power.
7 S. Skoko, M. Ambrosetti, T. Giovannini, C. Cappelli:
"Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study"
Molecules 2020, 25 (24), 5853.     (DOI 10.3390/molecules25245853 ) ⭳ Bib
Uses TRAVIS for RDF.
6 C. Peschel, C. Dreßler, D. Sebastiani:
"Ab-initio Study of Hydrogen Bond Networks in 1,2,3-Triazole Phases"
Molecules 2020, 25 (23), 5722.     (DOI 10.3390/molecules25235722 ) ⭳ Bib
Uses TRAVIS for CDF.
5 S. J. R. Vargas, H. Passos, N. Schaeffer, J. A. P. Coutinho:
"Integrated Leaching and Separation of Metals Using Mixtures of Organic Acids and Ionic Liquids"
Molecules 2020, 25 (23), 5570.     (DOI 10.3390/molecules25235570 ) ⭳ Bib
Uses TRAVIS for SDF, Domain.
4 M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler:
"Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions"
Molecules 2020, 25 (15), 3539.     (DOI 10.3390/molecules25153539 ) ⭳ Bib
3 G. Saielli:
"Computational NMR Spectroscopy of Ionic Liquids: [C4C1Im]Cl/Water Mixtures"
Molecules 2020, 25 (9), 2085.     (DOI 10.3390/molecules25092085 ) ⭳ Bib
Uses TRAVIS for SDF.
2 A. Kumar, A. Cincotti, S. Aparicio:
"A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes"
Molecules 2020, 25 (6), 1435.     (DOI 10.3390/molecules25061435 ) ⭳ Bib
Uses TRAVIS for CDF.

— 2019 —

1 D. O. Abranches, N. Schaeffer, L. P. Silva, M. A. R. Martins, S. P. Pinho, J. A. P. Coutinho:
"The Role of Charge Transfer in the Formation of Type I Deep Eutectic Solvent-Analogous Ionic Liquid Mixtures"
Molecules 2019, 24 (20), 3687.     (DOI 10.3390/molecules24203687 ) ⭳ Bib
Uses TRAVIS for SDF, Domain.

— Author List —

Go to Article List, go to Journal List.

40 different authors contributed to the 11 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Brehm, M.
2(show)Coutinho, J. A. P.
2(show)Schaeffer, N.
2(show)Sebastiani, D.
1(show)Abranches, D. O.
1(show)Ahmed, A. A.
1(show)Ambrosetti, M.
1(show)Aparicio, S.
1(show)Benassi, P.
1(show)Cappelli, C.
1(show)Cincotti, A.
1(show)Dreßler, C.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Ferella, F.
1(show)Ganta, P. B.
1(show)Gontrani, L.
1(show)Giovannini, T.
1(show)Kirchner, B.
1(show)Kressler, J.
1(show)Kühn, O.
1(show)Kumar, A.
1(show)Macchieraldo, R.
1(show)Martins, M. A. R.
1(show)Muzio, S. D.
1(show)Nardone, M.
1(show)Passos, H.
1(show)Peschel, C.
1(show)Pinho, S. P.
1(show)Pulst, M.
1(show)Radicke, J.
1(show)Ramondo, F.
1(show)Saielli, G.
1(show)Shaabani, F.
1(show)Sieland, M.
1(show)Silva, L. P.
1(show)Skoko, S.
1(show)Smarsly, B. M.
1(show)Vargas, S. J. R.
1(show)Weiß, M.

— Journal List —

Go to Article List, go to Author List.

The 11 articles shown above were published in 1 different journals.

CitationsJournal Name