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 in journal “ACS Omega”. Show all citations.

Go to Author List, go to Journal List.

14 citations match the query.  Show continuous list view.

— 2023 —

14 A. A. Timralieva, I. V. Moskalenko, P. V. Nesterov, V. V. Shilovskikh, A. S. Novikov, E. A. Konstantinova, A. I. Kokorin, E. V. Skorb:
"Melamine Barbiturate as a Light-Induced Nanostructured Supramolecular Material for a Bioinspired Oxygen and Organic Radical Trap and Stabilization"
ACS Omega 2023, 8 (9), 8276–8284.     (DOI 10.1021/acsomega.2c06510 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Aggr.
13 S. Nicholson, D. D. L. Minh, R. Eisenberg:
"H-Bonds in Crambin: Coherence in an A-Helix"
ACS Omega 2023, 8 (15), 13920–13934.     (DOI 10.1021/acsomega.3c00181 ) ⭳ Bib

— 2022 —

12 T. D. N. Reddy, A. S. Ivanov, D. M. Driscoll, S. Jansone-Popova, D.-E. Jiang:
"Atomistic Insights into Structure and Dynamics of Neodymium(III) Complexation with a Bis-Lactam Phenanthroline Ligand in the Organic Phase"
ACS Omega 2022, 7 (24), 21317–21324.     (DOI 10.1021/acsomega.2c02531 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
11 L. Sakhtemanian, M. H. Ghatee:
"Simulation Investigation of Bulk and Surface Properties of Liquid Benzonitrile: Ring Stacking-Assessment and Deconvolution"
ACS Omega 2022, 7 (29), 25693–25704.     (DOI 10.1021/acsomega.2c00953 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr, MSD.
10 P. J. George Varghese, D. A. David, A. Karuth, J. F. M. Jafferali, P. M. Sabura Begum, J. J. George, B. Rasulev, P. Raghavan:
"Experimental and Simulation Studies on Nonwoven Polypropylene–Nitrile Rubber Blend: Recycling of Medical Face Masks to an Engineering Product"
ACS Omega 2022, 7 (6), 4791–4803.     (DOI 10.1021/acsomega.1c04913 ) ⭳ Bib
Uses TRAVIS for MSD.
9 M. Nyepetsi, F. Mbaiwa, O. A. Oyetunji, N. H. de Leeuw:
"Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations"
ACS Omega 2022, 7 (12), 10212–10224.     (DOI 10.1021/acsomega.1c06762 ) ⭳ Bib
Uses TRAVIS for RDF, NI, DProf.

— 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.

66 different authors contributed to the 14 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Mallik, B. S.
2(show)Nesterov, P. V.
2(show)Novikov, A. S.
2(show)Shilovskikh, V. V.
2(show)Skorb, E. V.
2(show)Timralieva, A. A.
1(show)Ali, S. M.
1(show)Banerjee, T.
1(show)Bing, X.
1(show)Biswas, R.
1(show)David, D. A.
1(show)de Leeuw, N. H.
1(show)Deb, A. K. S.
1(show)Driscoll, D. M.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Gao, J.
1(show)Gupta, R.
1(show)Hollóczki, O.
1(show)Imoro, N.
1(show)Ivanov, A. S.
1(show)Eisenberg, R.
1(show)Firaha, D. S.
1(show)George Varghese, P. J.
1(show)George, J. J.
1(show)Gets, D.
1(show)Ghatee, M. H.
1(show)Ghosh, P.
1(show)Gibalova, A. V.
1(show)Jafferali, J. F. M.
1(show)Jansone-Popova, S.
1(show)Jiang, D.-E.
1(show)Kartha, T. R.
1(show)Karuth, A.
1(show)Kashyap, H. K.
1(show)Kaur, S.
1(show)Kirchner, B.
1(show)Kokorin, A. I.
1(show)Kondratyuk, N. D.
1(show)Konstantinova, E. A.
1(show)Kumari, P.
1(show)Lavrentev, F. V.
1(show)Macchieraldo, R.
1(show)Mbaiwa, F.
1(show)Minh, D. D. L.
1(show)Moskalenko, I. V.
1(show)Nebalueva, A.
1(show)Nicholson, S.
1(show)Nyepetsi, M.
1(show)Orekhov, N. D.
1(show)Oyetunji, O. A.
1(show)Priyadarsini, A.
1(show)Raghavan, P.
1(show)Rasulev, B.
1(show)Reddy, T. D. N.
1(show)Sabura Begum, P. M.
1(show)Sakhtemanian, L.
1(show)Smarsly, B. M.
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 14 articles shown above were published in 1 different journals.

CitationsJournal Name
14(show)ACS Omega