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 “Wang, Y.”. Show all citations.

Go to Author List, go to Journal List.

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

11 V. Mazzilli, Y. Wang, G. Saielli:
"The Structuring Effect of the Alkyl Domains on the Polar Network of Ionic Liquid Mixtures: A Molecular Dynamics Study"
Phys. Chem. Chem. Phys. 2022, 24 (31), 18783–18792.     (DOI 10.1039/D2CP02786K ) ⭳ Bib
Uses TRAVIS for SFac, Domain.
10 J. Xing, Y. Qu, Z. Su, M. Zhou, C. Sun, Y. Wang, P. Cui:
"Phase Equilibria and Mechanism Insights into the Separation of Isopropyl Acetate and Methanol by Deep Eutectic Solvents"
Ind. Eng. Chem. Res. 2022, 61 (51), 18881–18893.     (DOI 10.1021/acs.iecr.2c03488 ) ⭳ Bib
9 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
8 D. Xu, S. Wang, T. Zhang, L. Peng, X. Bing, L. Zhang, Y. Ma, J. Gao, Y. Wang:
"Extraction and Interaction Insights for Enhanced Separation of Phenolic Compounds from Model Coal Tar Using a Hydroxyl-Functionalized Ionic Liquid"
Chem. Eng. Res. Des. 2022, 178, 567–574.     (DOI 10.1016/j.cherd.2022.01.004 ) ⭳ Bib
7 Y. Wang, S. Wang, J. Shi, Z. Chen, L. Sheng, T. Zhang:
"Molecular Dynamics Study of Optically Controlled Phase Change Materials"
J. Phys. Chem. C 2022, 126 (12), 5443–5456.     (DOI 10.1021/acs.jpcc.1c10726 ) ⭳ Bib
Uses TRAVIS for SDF.
6 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.
5 T. Zhang, X. Bing, D. Wang, J. Gao, L. Zhang, D. Xu, Y. Zhang, Y. Wang:
"Extraction and Multi-Scale Mechanism Explorations for Separating Indole from Coal Tar via Tetramethylguanidine-Based Ionic Liquids"
J. Environ. Chem. Eng. 2021, 9 (3), 105255.     (DOI 10.1016/j.jece.2021.105255 ) ⭳ Bib
Uses TRAVIS for SDF.
4 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.
3 X. Bing, Z. Wang, F. Wei, J. Gao, D. Xu, L. Zhang, Y. Wang:
"Separation of M-Cresol from Coal Tar Model Oil Using Propylamine-Based Ionic Liquids: Extraction and Interaction Mechanism Exploration"
ACS Omega 2020, 5 (36), 23090–23098.     (DOI 10.1021/acsomega.0c02863 ) ⭳ Bib
Uses TRAVIS for SDF.
2 L. Zhang, X. Bing, Z. Cui, J. A. Labarta, D. Xu, J. Gao, S. Zhou, Y. Wang:
"Multiscale Exploration and Experimental Insights into Separating Neutral Heterocyclic Nitrogen Compounds Using [EMIm][NO3] as an Extractant"
ACS Sustain. Chem. Eng. 2020, 8 (14), 5662–5673.     (DOI 10.1021/acssuschemeng.0c00304 ) ⭳ Bib
Uses TRAVIS for SDF.
1 A. France-Lanord, Y. Wang, T. Xie, J. A. Johnson, Y. Shao-Horn, J. C. Grossman:
"Effect of Chemical Variations in the Structure of Poly(ethylene Oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes"
Chem. Mater. 2020, 32 (1), 121–126.     (DOI 10.1021/acs.chemmater.9b02645 ) ⭳ Bib
Uses TRAVIS for Aggr.

— Author List —

Only showing results by author “Wang, Y.”. Show all citations.

Go to Article List, go to Journal List.

44 different authors contributed to the 11 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
11(show)Wang, Y.
5(show)Gao, J.
5(show)Xu, D.
5(show)Zhang, L.
4(show)Bing, X.
4(show)Zhang, T.
3(show)Cui, P.
2(show)Chen, Z.
2(show)Liu, X.
2(show)Su, Z.
2(show)Wang, S.
2(show)Xing, J.
1(show)Cui, Z.
1(show)France-Lanord, A.
1(show)Gao, P.
1(show)Grossman, J. C.
1(show)Johnson, J. A.
1(show)Labarta, J. A.
1(show)Liu, Q.
1(show)Ma, Y.
1(show)Ma, Z.
1(show)Mazzilli, V.
1(show)Peng, L.
1(show)Qu, Y.
1(show)Saielli, G.
1(show)Shao-Horn, Y.
1(show)Sheng, L.
1(show)Shi, J.
1(show)Sun, C.
1(show)Sun, M.
1(show)Wang, D.
1(show)Wang, Z.
1(show)Wei, F.
1(show)Xie, T.
1(show)Yao, D.
1(show)Yixin, M.
1(show)Zhang, W.
1(show)Zhang, Y.
1(show)Zhang, Z.
1(show)Zhao, J.
1(show)Zhao, P.
1(show)Zhou, M.
1(show)Zhou, S.
1(show)Zhu, Z.

— Journal List —

Only showing results by author “Wang, Y.”. Show all citations.

Go to Article List, go to Author List.

The 11 articles shown above were published in 9 different journals.

CitationsJournal Name
2(show)J. Environ. Chem. Eng.
2(show)J. Mol. Liq.
1(show)ACS Omega
1(show)ACS Sustain. Chem. Eng.
1(show)Chem. Eng. Res. Des.
1(show)Chem. Mater.
1(show)Ind. Eng. Chem. Res.
1(show)J. Phys. Chem. C
1(show)Phys. Chem. Chem. Phys.