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).

Want to join the TRAVIS team? There are two PhD positions available in the group of Prof. Martin Brehm at the University of Paderborn (Germany). Please see the official announcements in German and English language. You can apply until 15.03.2024.

— Work Citing TRAVIS —

Only showing results by author “Reddy, T. D. N.”. Show all citations.

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9 citations match the query.  Show sub-lists per year.

9 T. D. N. Reddy, A. S. Ivanov, D. M. Driscoll, S. Jansone-Popova, D.-E. Jiang:
"Atomistic Insights into Structure and Dynamics of Neodymium(III) Complexation with a Bis-Lactam Phenanthroline Ligand in the Organic Phase"
ACS Omega 2022, 7 (24), 21317–21324.     (DOI 10.1021/acsomega.2c02531 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
8 T. D. N. Reddy, B. S. Mallik:
"Hydrogen Bond Kinetics, Ionic Dynamics, and Voids in the Binary Mixtures of Protic Ionic Liquids with Alkanolamines"
J. Phys. Chem. B 2021, 125 (21), 5587–5600.     (DOI 10.1021/acs.jpcb.0c10658 ) ⭳ Bib
Uses TRAVIS for SDF, Aggr.
7 T. D. N. Reddy, B. S. Mallik:
"Solvent-Assisted Li-Ion Transport and Structural Heterogeneity in Fluorinated Battery Electrolytes"
J. Phys. Chem. B 2021, 125 (37), 10551–10561.     (DOI 10.1021/acs.jpcb.1c05537 ) ⭳ Bib
Uses TRAVIS for Aggr.
6 T. D. N. Reddy, B. S. Mallik:
"Connecting Correlated and Uncorrelated Transport to Dynamics of Ionic Interactions in Cyclic Ammonium-Based Ionic Liquids"
J. Phys. Chem. B 2020, 124 (31), 6813–6824.     (DOI 10.1021/acs.jpcb.0c00577 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Aggr, MSD.
5 T. D. N. Reddy, B. S. Mallik:
"Ionic Dynamics of Hydroxylammonium Ionic Liquids: A Classical Molecular Dynamics Simulation Study"
J. Phys. Chem. B 2020, 124 (24), 4960–4974.     (DOI 10.1021/acs.jpcb.0c01388 ) ⭳ Bib
Uses TRAVIS for Aggr.
4 T. D. N. Reddy, B. S. Mallik:
"Nanostructure Domains, Voids, and Low-Frequency Spectra in Binary Mixtures of N,N-Dimethylacetamide and Ionic Liquids with Varying Cationic Size"
RSC Adv. 2020, 10 (3), 1811–1827.     (DOI 10.1039/C9RA09041J ) ⭳ Bib
Uses TRAVIS for SDF, CDF, Aggr, Domain.
3 T. D. N. Reddy, B. S. Mallik:
"Hydration Behavior of Protic Ionic Pair of Methyl Ammonium Formate: A Comparative Molecular Dynamics Simulation Study with Their Conjugate Neutral Forms"
Comput. Theor. Chem. 2020, 1172, 112663.     (DOI 10.1016/j.comptc.2019.112663 ) ⭳ Bib
2 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.
1 T. D. N. Reddy, B. S. Mallik:
"Protic Ammonium Carboxylate Ionic Liquids: Insight into Structure, Dynamics and Thermophysical Properties by Alkyl Group Functionalization"
Phys. Chem. Chem. Phys. 2017, 19 (16), 10358–10370.     (DOI 10.1039/C6CP08884H ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Reddy, T. D. N.”. Show all citations.

Go to Article List, go to Journal List.

6 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Reddy, T. D. N.
8(show)Mallik, B. S.
1(show)Driscoll, D. M.
1(show)Ivanov, A. S.
1(show)Jansone-Popova, S.
1(show)Jiang, D.-E.

— Journal List —

Only showing results by author “Reddy, T. D. N.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 5 different journals.

CitationsJournal Name
4(show)J. Phys. Chem. B
2(show)Phys. Chem. Chem. Phys.
1(show)ACS Omega
1(show)Comput. Theor. Chem.
1(show)RSC Adv.