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 in journal “ACS Omega”. Show all citations.

Go to Author List, go to Journal List.

8 citations match the query.  Show continuous list view.

— 2021 —

8 A. Priyadarsini, B. S. Mallik:
"Insignificant Effect of Temperature on the Structure and Angular Jumps of Water near a Hydrophobic Cation"
ACS Omega 2021, 6 (12), 8356–8364.     (DOI 10.1021/acsomega.1c00091 ) ⭳ Bib
Uses TRAVIS for CDF.
7 N. Imoro, V. V. Shilovskikh, P. V. Nesterov, A. A. Timralieva, D. Gets, A. Nebalueva, F. V. Lavrentev, A. S. Novikov, N. D. Kondratyuk, N. D. Orekhov, E. V. Skorb:
"Biocompatible pH-Degradable Functional Capsules Based on Melamine Cyanurate Self-Assembly"
ACS Omega 2021, 6 (27), 17267–17275.     (DOI 10.1021/acsomega.1c01124 ) ⭳ Bib
Uses TRAVIS for SDF, Aggr.

— 2020 —

6 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.

— 2019 —

5 R. Gupta, T. R. Kartha, B. S. Mallik:
"Solvation Structure and Dynamics of Alkali Metal Halides in an Ionic Liquid from Classical Molecular Dynamics Simulations"
ACS Omega 2019, 4 (22), 19556–19564.     (DOI 10.1021/acsomega.9b01672 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2018 —

4 R. Biswas, P. Ghosh, T. Banerjee, S. M. Ali, A. K. S. Deb:
"Interfacial Behavior of Cs+, K+, Na+, and Rb+ Extraction in the Presence of Dibenzo-18-crown-6 from the Nitrobenzene–Water Biphasic System: Experimental, Quantum Chemical, and Molecular Dynamic Studies"
ACS Omega 2018, 3 (2), 1663–1674.     (DOI 10.1021/acsomega.7b01828 ) ⭳ Bib
Uses TRAVIS for SDF.
3 R. Macchieraldo, L. Esser, R. Elfgen, P. Voepel, S. Zahn, B. M. Smarsly, B. Kirchner:
"Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water"
ACS Omega 2018, 3 (8), 8567–8582.     (DOI 10.1021/acsomega.8b00995 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr, Voro, Power.
2 P. Kumari, Shobhna, S. Kaur, H. K. Kashyap:
"Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study"
ACS Omega 2018, 3 (11), 15246–15255.     (DOI 10.1021/acsomega.8b02447 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2017 —

1 D. S. Firaha, A. V. Gibalova, O. Hollóczki:
"Basic Phosphonium Ionic Liquids as Wittig Reagents"
ACS Omega 2017, 2 (6), 2901–2911.     (DOI 10.1021/acsomega.7b00230 ) ⭳ Bib
Uses TRAVIS for RDF.

— Author List —

Only showing results in journal “ACS Omega”. Show all citations.

Go to Article List, go to Journal List.

41 different authors contributed to the 8 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Mallik, B. S.
1(show)Ali, S. M.
1(show)Banerjee, T.
1(show)Bing, X.
1(show)Biswas, R.
1(show)Deb, A. K. S.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Gao, J.
1(show)Gets, D.
1(show)Gupta, R.
1(show)Hollóczki, O.
1(show)Imoro, N.
1(show)Firaha, D. S.
1(show)Ghosh, P.
1(show)Gibalova, A. V.
1(show)Kartha, T. R.
1(show)Kashyap, H. K.
1(show)Kaur, S.
1(show)Kirchner, B.
1(show)Kondratyuk, N. D.
1(show)Kumari, P.
1(show)Lavrentev, F. V.
1(show)Macchieraldo, R.
1(show)Nebalueva, A.
1(show)Nesterov, P. V.
1(show)Novikov, A. S.
1(show)Orekhov, N. D.
1(show)Priyadarsini, A.
1(show)Shilovskikh, V. V.
1(show)Skorb, E. V.
1(show)Smarsly, B. M.
1(show)Timralieva, A. A.
1(show)Voepel, P.
1(show)Wang, Y.
1(show)Wang, Z.
1(show)Wei, F.
1(show)Xu, D.
1(show)Zahn, S.
1(show)Zhang, L.

— Journal List —

Only showing results in journal “ACS Omega”. Show all citations.

Go to Article List, go to Author List.

The 8 articles shown above were published in 1 different journals.

CitationsJournal Name
8(show)ACS Omega