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 work with “Connection Matrix” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

8 citations match the query.  Show continuous list view.

— 2023 —

8 A. Triolo, F. Lo Celso, O. Russina:
"Liquid Structure of a Water-Based, Hydrophobic and Natural Deep Eutectic Solvent: The Case of Thymol-Water. A Molecular Dynamics Study"
J. Mol. Liq. 2023, 372, 121151.     (DOI 10.1016/j.molliq.2022.121151 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac,
7 C. Fan, Y. Shan, Y. Yin, X. Cao:
"Special Structural and Dynamical Interplay of Cyano-Based Novel Deep Eutectic Solvents"
New J. Chem. 2023, 47 (11), 5356–5366.     (DOI 10.1039/D2NJ05274A ) ⭳ Bib
6 E. Roos, D. Sebastiani, M. Brehm:
"A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc]/Water Mixtures"
Phys. Chem. Chem. Phys. 2023, 25 (12), 8755–8766.     (DOI 10.1039/D2CP05636D ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, Sankey,
5 K. Shimizu, M. Watanabe, J. N. C. Lopes, A. A. de Freitas:
"The Heterogeneous Nature of the Lithium-Ion Diffusion in Highly Concentrated Sulfolane-Based Liquid Electrolytes"
J. Mol. Liq. 2023, 382, 121983.     (DOI 10.1016/j.molliq.2023.121983 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SFac, Aggr, MSD,
4 A. Gutiérrez, A. Maletta, S. Aparicio, M. Atilhan:
"A Theoretical Study of Low Concentration Per- and Polyfluoroalkyl Substances (PFAS) Remediation from Wastewater by Novel Hydrophobic Deep Eutectic Solvents (HDES) Extraction Agents"
J. Mol. Liq. 2023, 383, 122101.     (DOI 10.1016/j.molliq.2023.122101 ) ⭳ Bib

— 2022 —

3 J. A. Tamayo-Ramos, S. Martel, R. Barros, A. Bol, M. Atilhan, S. Aparicio:
"On the Behavior of Quercetin + Organic Solvent Solutions and Their Role for C60 Fullerene Solubilization"
J. Mol. Liq. 2022, 345, 117714.     (DOI 10.1016/j.molliq.2021.117714 ) ⭳ Bib

— 2021 —

2 M. Mohan, H. Choudhary, A. George, B. A. Simmons, K. Sale, J. M. Gladden:
"Towards Understanding of Delignification of Grassy and Woody Biomass in Cholinium-Based Ionic Liquids"
Green Chem. 2021, 23 (16), 6020–6035.     (DOI 10.1039/D1GC01622A ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Aggr, Sankey,

— 2020 —

1 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 ) ⭳ Bib
Uses TRAVIS for CDF, Aggr, MSD, Domain, Power, Spec, NC, Order, Sankey,

— Author List —

Only showing work with “Connection Matrix” from TRAVIS. Show all citations.

Go to Article List, go to Journal List.

31 different authors contributed to the 8 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Aparicio, S.
2(show)Atilhan, M.
2(show)Brehm, M.
1(show)Barros, R.
1(show)Bol, A.
1(show)Cao, X.
1(show)Choudhary, H.
1(show)de Freitas, A. A.
1(show)Fan, C.
1(show)Gladden, J. M.
1(show)Gutiérrez, A.
1(show)George, A.
1(show)Gehrke, S.
1(show)Kirchner, B.
1(show)Lo Celso, F.
1(show)Lopes, J. N. C.
1(show)Maletta, A.
1(show)Martel, S.
1(show)Mohan, M.
1(show)Roos, E.
1(show)Russina, O.
1(show)Sale, K.
1(show)Sebastiani, D.
1(show)Shan, Y.
1(show)Simmons, B. A.
1(show)Shimizu, K.
1(show)Tamayo-Ramos, J. A.
1(show)Thomas, M.
1(show)Triolo, A.
1(show)Watanabe, M.
1(show)Yin, Y.

— Journal List —

Only showing work with “Connection Matrix” from TRAVIS. Show all citations.

Go to Article List, go to Author List.

The 8 articles shown above were published in 5 different journals.

CitationsJournal Name
4(show)J. Mol. Liq.
1(show)Green Chem.
1(show)J. Chem. Phys.
1(show)New J. Chem.
1(show)Phys. Chem. Chem. Phys.