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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

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 results by author “Pádua, A. A. H.”. Show all citations.

Go to Author List, go to Journal List.

5 citations match the query.  Show continuous list view.

— 2021 —

5 K. Goloviznina, Z. Gong, M. F. C. Gomes, A. A. H. Pádua:
"Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids, and Deep Eutectic Solvents"
J. Chem. Theory Comput. 2021, 17 (3), 1606–1617.     (DOI 10.1021/acs.jctc.0c01002 ) ⭳ Bib
Uses TRAVIS for SFac.

— 2020 —

4 V. Alizadeh, F. Malberg, A. A. H. Pádua, B. Kirchner:
"Are there Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from ab initio Molecular Dynamics"
J. Phys. Chem. B 2020, 124 (34), 7433–7443.     (DOI 10.1021/acs.jpcb.0c04844 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF.
3 K. Bernardino, K. Goloviznina, M. C. Gomes, A. A. H. Pádua, M. C. C. Ribeiro:
"Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure"
J. Chem. Phys. 2020, 152 (1), 14103.     (DOI 10.1063/1.5128693 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.

— 2019 —

2 V. Alizadeh, D. Geller, F. Malberg, P. B. Sánchez, A. A. H. Pádua, B. Kirchner:
"Strong Microheterogeneity in Novel Deep Eutectic Solvents"
ChemPhysChem 2019, 20 (14), 1786–1792.     (DOI 10.1002/cphc.201900307 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, Domain.

— 2017 —

1 A. Korotkevich, D. S. Firaha, A. A. H. Pádua, B. Kirchner:
"Ab initio Molecular Dynamics Simulations of SO2 Solvation in Choline Chloride/Glycerol Deep Eutectic Solvent"
Fluid Phase Equilib. 2017, 448, 59–68.     (DOI 10.1016/j.fluid.2017.03.024 ) ⭳ Bib
Uses TRAVIS for RDF, NI.


— Author List —

Only showing results by author “Pádua, A. A. H.”. Show all citations.

Go to Article List, go to Journal List.

14 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Pádua, A. A. H.
3(show)Kirchner, B.
2(show)Alizadeh, V.
2(show)Goloviznina, K.
2(show)Malberg, F.
1(show)Bernardino, K.
1(show)Geller, D.
1(show)Gomes, M. C.
1(show)Gomes, M. F. C.
1(show)Gong, Z.
1(show)Firaha, D. S.
1(show)Korotkevich, A.
1(show)Ribeiro, M. C. C.
1(show)Sánchez, P. B.

— Journal List —

Only showing results by author “Pádua, A. A. H.”. Show all citations.

Go to Article List, go to Author List.

The 5 articles shown above were published in 5 different journals.

CitationsJournal Name
1(show)ChemPhysChem
1(show)Fluid Phase Equilib.
1(show)J. Chem. Phys.
1(show)J. Chem. Theory Comput.
1(show)J. Phys. Chem. B