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 “Liu, Q.”. Show all citations.

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

4 W. Chen, J. Gu, Q. Liu, M. Yang, C. Zhan, X. Zang, T. A. Pham, G. Liu, W. Zhang, D. Zhang, B. Dunn, Y. M. Wang:
"Two-Dimensional Quantum-Sheet Films with sub-1.2 nm Channels for Ultrahigh-Rate Electrochemical Capacitance"
Nat. Nanotechnology 2022, 17 (2), 153–158.     (DOI 10.1038/s41565-021-01020-0 ) ⭳ Bib
3 Q. Guo, Q. Liu, Y. Zhao:
"Insights into the Structure and Dynamics of Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures: A Molecular Dynamics Approach"
Nanomaterials 2021, 11 (10), 2512.     (DOI 10.3390/nano11102512 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, MSD, RDyn.
2 C. Li, A. Li, X. Cha, Q. Liu, J. Gao, D. Xu, Y. Ma, L. Zhang:
"Comprehensive Evaluation of the Role of Phenolate Based Ionic Liquid on Extracting Pyrrole from Diverse Sources: A Combined Molecular Dynamics Simulation Study and Experiment Validation"
J. Mol. Liq. 2021, 334, 116525.     (DOI 10.1016/j.molliq.2021.116525 ) ⭳ Bib
Uses TRAVIS for SDF.
1 Q. Liu, T. Zhang, P. Gao, J. Gao, D. Xu, P. Zhao, L. Zhang, Y. Wang:
"Separation of Indole by Designed Ionic Liquids with Dual Functional Chemical Sites: Mechanism Exploration and Experimental Validation"
J. Environ. Chem. Eng. 2021, 9 (5), 105971.     (DOI 10.1016/j.jece.2021.105971 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Liu, Q.”. Show all citations.

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25 different authors contributed to the 4 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
4(show)Liu, Q.
2(show)Gao, J.
2(show)Xu, D.
2(show)Zhang, L.
1(show)Cha, X.
1(show)Chen, W.
1(show)Dunn, B.
1(show)Gao, P.
1(show)Gu, J.
1(show)Guo, Q.
1(show)Li, A.
1(show)Li, C.
1(show)Liu, G.
1(show)Ma, Y.
1(show)Pham, T. A.
1(show)Wang, Y.
1(show)Wang, Y. M.
1(show)Yang, M.
1(show)Zang, X.
1(show)Zhan, C.
1(show)Zhang, D.
1(show)Zhang, T.
1(show)Zhang, W.
1(show)Zhao, P.
1(show)Zhao, Y.

— Journal List —

Only showing results by author “Liu, Q.”. Show all citations.

Go to Article List, go to Author List.

The 4 articles shown above were published in 4 different journals.

CitationsJournal Name
1(show)J. Environ. Chem. Eng.
1(show)J. Mol. Liq.
1(show)Nat. Nanotechnology