TRAVIS – Trajectory Analyzer and Visualizer
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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: 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. Chem. Eng. Data”. Show all citations.
Go to Author List, go to Journal List.
Show only articles where TRAVIS was used to compute...
... any result (766)
... RDFs (g(r), Radial Distribution Functions) (358)
... Number Integrals / Coordination Numbers (110)
... SDFs (Spatial Distribution Functions) (374)
... CDFs (Combined Distribution Functions) (210)
... 3D CDFs (3)
... Structure Factors / van Howe Correlations (59)
... Density Profiles (30)
... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (86)
... MSDs (Mean Square Displacements), Diffusion Coefficients (78)
... Vector Reorientation Dynamics / Rotational Relaxation Times (17)
... Voronoi Statistics / Surface Coverage / Visualization (20)
... Voronoi-based Domain Analysis (39)
... Power Spectra / Vibrational Density of States (67)
... Vibrational Spectra (IR, Raman, VCD, ROA) (79)
... Bulk Phase Normal Modes (8)
... Order Parameters (3)
... Sankey Diagrams / Hydrogen Bond Topology (8)
... Connection Matrix (8)
9 citations match the query. Show continuous list view.
— 2022 —
| 9 | D. Penley, X. Wang, Y.-Y. Lee, M. N. Garaga, R. Ghahremani, S. Greenbaum, E. J. Maginn, B. Gurkan: "Lithium Solvation and Mobility in Ionic Liquid Electrolytes with Asymmetric Sulfonyl-Cyano Anion" J. Chem. Eng. Data 2022, 67 (8), 1810–1823. (DOI 10.1021/acs.jced.2c00294 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, DProf, Aggr, MSD. |
— 2021 —
| 8 | T. R. Kartha, B. S. Mallik: "Structure and Transport of Solvent Ligated Octahedral Mg-Ion in an Aqueous Battery Electrolyte" J. Chem. Eng. Data 2021, 66 (3), 1543–1554. (DOI 10.1021/acs.jced.1c00046 ) ⭳ Bib Uses TRAVIS for CDF. |
— 2020 —
| 7 | A. Gutiérrez, M. Atilhan, S. Aparicio: "Behavior of Antibiotics in Natural Deep Eutectic Solvents" J. Chem. Eng. Data 2020, 65 (9), 4669–4683. (DOI 10.1021/acs.jced.0c00519 ) ⭳ Bib Uses TRAVIS for RDF. |
| 6 | S. Papović, M. B. Vraneš, A. S. Tot, I. Szilágyi, B. Katana, K. Alenezi, S. B. Gadžurić: "Physicochemical Investigations of a Binary Mixture Containing Ionic Liquid 1-Butyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide and Diethyl Carbonate" J. Chem. Eng. Data 2020, 65 (1), 68–80. (DOI 10.1021/acs.jced.9b00738 ) ⭳ Bib Uses TRAVIS for RDF. |
| 5 | M. A. A. Rocha, D. Kerlé, J. Kiefer, W. Schröer, B. Rathke: "Liquid–Liquid Phase Behavior of Solutions of 1,3-Diethylimidazolium Bis((trifluoromethyl)sulfonyl)amide in N-Alkyl Alcohols" J. Chem. Eng. Data 2020, 65 (3), 1345–1357. (DOI 10.1021/acs.jced.9b00800 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2019 —
| 4 | Z. Gong, H. Sun: "Extension of Team Force-Field Database to Ionic Liquids" J. Chem. Eng. Data 2019, 64 (9), 3718–3730. (DOI 10.1021/acs.jced.9b00050 ) ⭳ Bib Uses TRAVIS for SDF, CDF. |
| 3 | S. Gehrke, B. Kirchner: "Robustness of the Hydrogen Bond and Ion Pair Dynamics in Ionic Liquids to Different Parameters from the Reactive Flux Method" J. Chem. Eng. Data 2019, 65 (3), 1146–1158. (DOI 10.1021/acs.jced.9b00529 ) ⭳ Bib Uses TRAVIS for Aggr. |
— 2014 —
| 2 | M. H. Kowsari, M. Fakhraee, S. Alavi, B. Najafi: "Molecular Dynamics and ab initio Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-based [Tf2N–] Ionic Liquids" J. Chem. Eng. Data 2014, 59 (9), 2834–2849. (DOI 10.1021/je5004675 ) ⭳ Bib Uses TRAVIS for SDF. |
| 1 | D. S. Firaha, B. Kirchner: "CO2 Absorption in the Protic Ionic Liquid Ethylammonium Nitrate" J. Chem. Eng. Data 2014, 59 (10), 3098–3104. (DOI 10.1021/je500166d ) ⭳ Bib Uses TRAVIS for RDF, CDF, Voro. |
— Author List —
Only showing results in journal “J. Chem. Eng. Data”. Show all citations.
Go to Article List, go to Journal List.
34 different authors contributed to the 9 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Alavi, S. |
| 1 | (show) | Alenezi, K. |
| 1 | (show) | Aparicio, S. |
| 1 | (show) | Atilhan, M. |
| 1 | (show) | Fakhraee, M. |
| 1 | (show) | Gadžurić, S. B. |
| 1 | (show) | Garaga, M. N. |
| 1 | (show) | Gong, Z. |
| 1 | (show) | Greenbaum, S. |
| 1 | (show) | Gurkan, B. |
| 1 | (show) | Gutiérrez, A. |
| 1 | (show) | Firaha, D. S. |
| 1 | (show) | Ghahremani, R. |
| 1 | (show) | Gehrke, S. |
| 1 | (show) | Kartha, T. R. |
| 1 | (show) | Katana, B. |
| 1 | (show) | Kerlé, D. |
| 2 | (show) | Kirchner, B. |
| 1 | (show) | Kiefer, J. |
| 1 | (show) | Kowsari, M. H. |
| 1 | (show) | Lee, Y.-Y. |
| 1 | (show) | Maginn, E. J. |
| 1 | (show) | Mallik, B. S. |
| 1 | (show) | Najafi, B. |
| 1 | (show) | Papović, S. |
| 1 | (show) | Penley, D. |
| 1 | (show) | Rathke, B. |
| 1 | (show) | Rocha, M. A. A. |
| 1 | (show) | Schröer, W. |
| 1 | (show) | Sun, H. |
| 1 | (show) | Szilágyi, I. |
| 1 | (show) | Tot, A. S. |
| 1 | (show) | Vraneš, M. B. |
| 1 | (show) | Wang, X. |
— Journal List —
Only showing results in journal “J. Chem. Eng. Data”. Show all citations.
Go to Article List, go to Author List.
The 9 articles shown above were published in 1 different journals.
| Citations | Journal Name | |
|---|---|---|
| 9 | (show) | J. Chem. Eng. Data |
