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 —

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

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

7 X. Liu, A. Mariani, T. Diemant, M. E. D. Pietro, X. Dong, M. Kuenzel, A. Mele, S. Passerini:
"Difluorobenzene-Based Locally Concentrated Ionic Liquid Electrolyte Enabling Stable Cycling of Lithium Metal Batteries with Nickel-Rich Cathode"
Adv. Energy Mater. 2022, 12 (25), 2200862.     (DOI 10.1002/aenm.202200862 ) ⭳ Bib
6 X. Liu, A. Mariani, M. Zarrabeitia, M. E. D. Pietro, X. Dong, G. A. Elia, A. Mele, S. Passerini:
"Effect of Organic Cations in Locally Concentrated Ionic Liquid Electrolytes on the Electrochemical Performance of Lithium Metal Batteries"
Energy Storage Materials 2022, 44, 370–378.     (DOI 10.1016/j.ensm.2021.10.034 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
5 X. Liu, J. Xing, M. Sun, Z. Su, Z. Chen, Y. Wang, P. Cui:
"Phase Behavior and Extraction Mechanism of Methanol-n-Hexane Separation Using Choline-Based Deep Eutectic Solvent"
J. Mol. Liq. 2022, 345, 118204.     (DOI 10.1016/j.molliq.2021.118204 ) ⭳ Bib
4 G. D. Barbosa, X. Liu, K. E. O'Harra, J. E. Bara, C. H. Turner:
"Charge Scaling Parameter Evaluation for Multivalent Ionic Liquids with Fixed Point Charge Force Fields"
Journal of Ionic Liquids 2022, 97, 100020.     (DOI 10.1016/j.jil.2022.100020 ) ⭳ Bib
Uses TRAVIS for SDF.
3 P. Sappidi, X. Liu, K. E. O'Harra, J. E. Bara, C. H. Turner:
"How Do Ionic Liquids "Fold" Ionenes? Computational and Experimental Analysis of Imidazolium Polymers Based on Ether and Alkyl Chain Variations Dissolved in an Ionic Liquid"
Macromolecules 2021, 54 (4), 1611–1622.     (DOI 10.1021/acs.macromol.0c02604 ) ⭳ Bib
Uses TRAVIS for SDF.
2 Z. Zhang, X. Liu, D. Yao, Z. Ma, J. Zhao, W. Zhang, P. Cui, M. Yixin, Z. Zhu, Y. Wang:
"Molecular Kinetic Extraction Mechanism Analysis of 1-Butanol from n-Heptane-1-Butanol by Choline-Based DESs as Extractants"
J. Mol. Liq. 2021, 322, 114665.     (DOI 10.1016/j.molliq.2020.114665 ) ⭳ Bib
Uses TRAVIS for SDF.
1 Y. Zhang, X. Liu, C. Zhang, X. Lu:
"A Combined First Principles and Classical Molecular Dynamics Study of Clay-Soil Organic Matters (SOMS) Interactions"
Geochim. Cosmochim. Acta 2019, 291, 110–125.     (DOI 10.1016/j.gca.2019.12.022 ) ⭳ Bib
Uses TRAVIS for Spec.

— Author List —

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

Go to Article List, go to Journal List.

31 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
7(show)Liu, X.
2(show)Bara, J. E.
2(show)Cui, P.
2(show)Dong, X.
2(show)Mariani, A.
2(show)Mele, A.
2(show)O'Harra, K. E.
2(show)Passerini, S.
2(show)Pietro, M. E. D.
2(show)Turner, C. H.
2(show)Wang, Y.
1(show)Barbosa, G. D.
1(show)Chen, Z.
1(show)Diemant, T.
1(show)Elia, G. A.
1(show)Kuenzel, M.
1(show)Lu, X.
1(show)Ma, Z.
1(show)Sappidi, P.
1(show)Su, Z.
1(show)Sun, M.
1(show)Xing, J.
1(show)Yao, D.
1(show)Yixin, M.
1(show)Zarrabeitia, M.
1(show)Zhang, C.
1(show)Zhang, W.
1(show)Zhang, Y.
1(show)Zhang, Z.
1(show)Zhao, J.
1(show)Zhu, Z.

— Journal List —

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

Go to Article List, go to Author List.

The 7 articles shown above were published in 6 different journals.

CitationsJournal Name
2(show)J. Mol. Liq.
1(show)Adv. Energy Mater.
1(show)Energy Storage Materials
1(show)Geochim. Cosmochim. Acta
1(show)Journal of Ionic Liquids