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 “J. Phys. Chem. C”. Show all citations.

Go to Author List, go to Journal List.

18 citations match the query.  Show continuous list view.

— 2022 —

18 R. Pascazio, F. Zaccaria, B. van Beek, I. Infante:
"Classical Force-Field Parameters for CsPbBr3 Perovskite Nanocrystals"
J. Phys. Chem. C 2022, 126 (23), 9898–9908.     (DOI 10.1021/acs.jpcc.2c00600 ) ⭳ Bib
Uses TRAVIS for Power.
17 C. Kirsch, C. Dreßler, D. Sebastiani:
"Atomistic Diffusion Pathways of Lithium Ions in Crystalline Lithium Silicides from ab initio Molecular Dynamics Simulations"
J. Phys. Chem. C 2022, 126 (29), 12136–12149.     (DOI 10.1021/acs.jpcc.2c01555 ) ⭳ Bib
Uses TRAVIS for MSD.
16 J. Ibaceta-Jaña, M. Chugh, A. S. Novikov, H. Mirhosseini, T. D. Kühne, B. Szyszka, M. R. Wagner, R. Muydinov:
"Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?"
J. Phys. Chem. C 2022, 126 (38), 16215–16226.     (DOI 10.1021/acs.jpcc.2c02984 ) ⭳ Bib
Uses TRAVIS for Spec.
15 H. Fan, E. S. Frank, P. S. J. Lakey, M. Shiraiwa, D. J. Tobias, V. H. Grassian:
"Heterogeneous Interactions between Carvone and Hydroxylated SiO2"
J. Phys. Chem. C 2022, 126 (14), 6267–6279.     (DOI 10.1021/acs.jpcc.2c00815 ) ⭳ Bib
Uses TRAVIS for Power.
14 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.

— 2021 —

13 E. Lalik, K. Drużbicki, G. Irvine, M. Gutmann, S. Rudić, P. Manuel, V. Petříček, M. Krzystyniak:
"Interplay between Local Structure and Nuclear Dynamics in Tungstic Acid: A Neutron Scattering Study"
J. Phys. Chem. C 2021, 125 (43), 23864–23879.     (DOI 10.1021/acs.jpcc.1c05121 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2019 —

12 S. Pal, S. Paul:
"Effect of Hydrated and Nonhydrated Choline Chloride–Urea Deep Eutectic Solvent (Reline) on Thrombin-Binding G-Quadruplex Aptamer (TBA): A Classical Molecular Dynamics Simulation Study"
J. Phys. Chem. C 2019, 123 (18), 11686–11698.     (DOI 10.1021/acs.jpcc.9b01111 ) ⭳ Bib
Uses TRAVIS for SDF.
11 T. Aashish, B. S. Mallik:
"Rattling Transport of Lithium Ion in the Cavities of Model Solid Electrolyte Interphase"
J. Phys. Chem. C 2019, 123 (41), 25015–25024.     (DOI 10.1021/acs.jpcc.9b04160 ) ⭳ Bib
Uses TRAVIS for SDF, SFac.
10 N. Aguilar, S. Aparicio:
"Theoretical Insights into CO2 Adsorption by MoS2 Nanomaterials"
J. Phys. Chem. C 2019, 123 (43), 26338–26350.     (DOI 10.1021/acs.jpcc.9b07219 ) ⭳ Bib
Uses TRAVIS for CDF.
9 F. R. Negreiros, T. Obermüller, M. Blatnik, M. Mohammadi, A. Fortunelli, F. P. Netzer, S. Surnev:
"Ultrathin WO3 Bilayer on Ag(100): A Model for the Structure of 2D WO3 Nanosheets"
J. Phys. Chem. C 2019, 123 (45), 27584–27593.     (DOI 10.1021/acs.jpcc.9b07990 ) ⭳ Bib
Uses TRAVIS for Power.

— 2018 —

8 J. Guo, K. D. Hammond:
"Comparison of Siliceous Zeolite Potentials from the Perspective of Infrared Spectroscopy"
J. Phys. Chem. C 2018, 122 (11), 6093–6102.     (DOI 10.1021/acs.jpcc.7b12491 ) ⭳ Bib
Uses TRAVIS for Spec.
7 J. Guo, K. D. Hammond:
"A Potential for the Simulation of Siliceous Zeolites Fit to the Infrared Spectra of Silica Polymorphs"
J. Phys. Chem. C 2018, 122 (21), 11345–11354.     (DOI 10.1021/acs.jpcc.7b12530 ) ⭳ Bib
Uses TRAVIS for Spec.
6 J. Lan, J. Hutter, M. Iannuzzi:
"First-Principles Simulations of an Aqueous CO/Pt(111) Interface"
J. Phys. Chem. C 2018, 122 (42), 24068–24076.     (DOI 10.1021/acs.jpcc.8b05933 ) ⭳ Bib
Uses TRAVIS for Spec.
5 G. Kumar, T. R. Kartha, B. S. Mallik:
"Novelty of Lithium Salt Solution in Sulfone and Dimethyl Carbonate-Based Electrolytes for Lithium-Ion Batteries: A Classical Molecular Dynamics Simulation Study of Optimal Ion Diffusion"
J. Phys. Chem. C 2018, 122 (46), 26315–26325.     (DOI 10.1021/acs.jpcc.8b06581 ) ⭳ Bib
Uses TRAVIS for SDF.
4 W. Zhang, J. Maul, D. Vulpe, P. Z. Moghadam, D. Fairen-Jimenez, D. M. Mittleman, J. A. Zeitler, A. Erba, M. T. Ruggiero:
"Probing the Mechanochemistry of Metal–Organic Frameworks with Low-Frequency Vibrational Spectroscopy"
J. Phys. Chem. C 2018, 122 (48), 27442–27450.     (DOI 10.1021/acs.jpcc.8b08334 ) ⭳ Bib
Uses TRAVIS for Spec.

— 2016 —

3 P. Ray, S. Dohm, T. Husch, C. Schütter, K. A. Persson, A. Balducci, B. Kirchner, M. Korth:
"Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors"
J. Phys. Chem. C 2016, 120 (23), 12325–12336.     (DOI 10.1021/acs.jpcc.6b00891 ) ⭳ Bib
2 R. Lotfi, A. S. M. Jonayat, A. C. T. van Duin, M. M. Biswas, R. Hempstead:
"A Reactive Force Field Study on the Interaction of Lubricant with Diamond-Like Carbon Structures"
J. Phys. Chem. C 2016, 120 (48), 27443–27451.     (DOI 10.1021/acs.jpcc.6b09729 ) ⭳ Bib
Uses TRAVIS for Power.

— 2015 —

1 H. Weber, M. Salanne, B. Kirchner:
"Toward an Accurate Modeling of Ionic Liquid–TiO2 Interfaces"
J. Phys. Chem. C 2015, 119 (45), 25260–25267.     (DOI 10.1021/acs.jpcc.5b08538 ) ⭳ Bib
Uses TRAVIS for CDF, DProf.

— Author List —

Only showing results in journal “J. Phys. Chem. C”. Show all citations.

Go to Article List, go to Journal List.

79 different authors contributed to the 18 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Guo, J.
2(show)Hammond, K. D.
2(show)Kirchner, B.
2(show)Mallik, B. S.
1(show)Aashish, T.
1(show)Aguilar, N.
1(show)Aparicio, S.
1(show)Balducci, A.
1(show)Biswas, M. M.
1(show)Blatnik, M.
1(show)Chugh, M.
1(show)Chen, Z.
1(show)Dohm, S.
1(show)Dreßler, C.
1(show)Drużbicki, K.
1(show)Erba, A.
1(show)Fairen-Jimenez, D.
1(show)Fan, H.
1(show)Fortunelli, A.
1(show)Frank, E. S.
1(show)Grassian, V. H.
1(show)Gutmann, M.
1(show)Husch, T.
1(show)Hutter, J.
1(show)Iannuzzi, M.
1(show)Ibaceta-Jaña, J.
1(show)Infante, I.
1(show)Irvine, G.
1(show)Hempstead, R.
1(show)Jonayat, A. S. M.
1(show)Kartha, T. R.
1(show)Kirsch, C.
1(show)Korth, M.
1(show)Krzystyniak, M.
1(show)Kühne, T. D.
1(show)Kumar, G.
1(show)Lakey, P. S. J.
1(show)Lalik, E.
1(show)Lan, J.
1(show)Lotfi, R.
1(show)Manuel, P.
1(show)Maul, J.
1(show)Mirhosseini, H.
1(show)Mittleman, D. M.
1(show)Mohammadi, M.
1(show)Moghadam, P. Z.
1(show)Muydinov, R.
1(show)Netzer, F. P.
1(show)Negreiros, F. R.
1(show)Novikov, A. S.
1(show)Obermüller, T.
1(show)Pal, S.
1(show)Pascazio, R.
1(show)Paul, S.
1(show)Persson, K. A.
1(show)Petříček, V.
1(show)Ray, P.
1(show)Rudić, S.
1(show)Ruggiero, M. T.
1(show)Salanne, M.
1(show)Schütter, C.
1(show)Sebastiani, D.
1(show)Sheng, L.
1(show)Shi, J.
1(show)Shiraiwa, M.
1(show)Surnev, S.
1(show)Szyszka, B.
1(show)Tobias, D. J.
1(show)van Beek, B.
1(show)van Duin, A. C. T.
1(show)Vulpe, D.
1(show)Wagner, M. R.
1(show)Wang, S.
1(show)Wang, Y.
1(show)Weber, H.
1(show)Zaccaria, F.
1(show)Zhang, T.
1(show)Zhang, W.
1(show)Zeitler, J. A.

— Journal List —

Only showing results in journal “J. Phys. Chem. C”. Show all citations.

Go to Article List, go to Author List.

The 18 articles shown above were published in 1 different journals.

CitationsJournal Name
18(show)J. Phys. Chem. C