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 “Gao, J.”. Show all citations.

Go to Author List, go to Journal List.

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

6 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
5 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.
4 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.
3 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.
2 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.
1 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.

— Author List —

Only showing results by author “Gao, J.”. Show all citations.

Go to Article List, go to Journal List.

22 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Gao, J.
6(show)Xu, D.
6(show)Zhang, L.
5(show)Wang, Y.
4(show)Bing, X.
3(show)Zhang, T.
2(show)Liu, Q.
2(show)Ma, Y.
1(show)Cha, X.
1(show)Cui, Z.
1(show)Gao, P.
1(show)Labarta, J. A.
1(show)Li, A.
1(show)Li, C.
1(show)Peng, L.
1(show)Wang, D.
1(show)Wang, S.
1(show)Wang, Z.
1(show)Wei, F.
1(show)Zhang, Y.
1(show)Zhao, P.
1(show)Zhou, S.

— Journal List —

Only showing results by author “Gao, J.”. Show all citations.

Go to Article List, go to Author List.

The 6 articles shown above were published in 5 different journals.

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