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 “Molecules”. 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)
16 citations match the query. Show continuous list view.
— 2023 —
16 | H. Marques, J. N. C. Lopes, A. A. de Freitas, K. Shimizu: "The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series" Molecules 2023, 28 (5), 2094. (DOI 10.3390/molecules28052094 ) ⭳ Bib Uses TRAVIS for RDF, SDF, SFac. |
15 | F. Perrella, F. Coppola, N. Rega, A. Petrone: "An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning" Molecules 2023, 28 (8), 3411. (DOI 10.3390/molecules28083411 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2022 —
14 | S. Gómez, N. Rojas-Valencia, T. Giovannini, A. Restrepo, C. Cappelli: "Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution As Revealed by Resonance Raman" Molecules 2022, 27 (2), 442. (DOI 10.3390/molecules27020442 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF. |
— 2021 —
13 | I. Hassan, F. Ferraro, P. Imhof: "Effect of the Hydration Shell on the Carbonyl Vibration in the Ala-Leu-Ala-Leu Peptide" Molecules 2021, 26 (8), 2148. (DOI 10.3390/molecules26082148 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF, Power, Spec. |
12 | M. Brehm, M. Thomas: "Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations" Molecules 2021, 26 (7), 1875. (DOI 10.3390/molecules26071875 ) ⭳ Bib Uses TRAVIS for Voro. |
11 | P. B. Ganta, O. Kühn, A. A. Ahmed: "Ab initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and Goethite" Molecules 2021, 26 (1), 160. (DOI 10.3390/molecules26010160 ) ⭳ Bib Uses TRAVIS for Spec. |
10 | L. Esser, R. Macchieraldo, R. Elfgen, M. Sieland, B. M. Smarsly, B. Kirchner: "TiCl4 Dissolved in Ionic Liquid Mixtures from ab initio Molecular Dynamics Simulations" Molecules 2021, 26 (1), 79. (DOI 10.3390/molecules26010079 ) ⭳ Bib Uses TRAVIS for RDF, NI, Aggr, MSD, Voro, Domain, Power. |
— 2020 —
— 2019 —
1 | D. O. Abranches, N. Schaeffer, L. P. Silva, M. A. R. Martins, S. P. Pinho, J. A. P. Coutinho: "The Role of Charge Transfer in the Formation of Type I Deep Eutectic Solvent-Analogous Ionic Liquid Mixtures" Molecules 2019, 24 (20), 3687. (DOI 10.3390/molecules24203687 ) ⭳ Bib Uses TRAVIS for SDF, Domain. |
— Author List —
Only showing results in journal “Molecules”. Show all citations.
Go to Article List, go to Journal List.
55 different authors contributed to the 16 articles shown above.
Citations ↓ A–Z | Author Name ↓ A–Z | |
---|---|---|
1 | (show) | Abranches, D. O. |
1 | (show) | Ahmed, A. A. |
1 | (show) | Ambrosetti, M. |
1 | (show) | Aparicio, S. |
1 | (show) | Benassi, P. |
3 | (show) | Brehm, M. |
2 | (show) | Cappelli, C. |
1 | (show) | Cincotti, A. |
1 | (show) | Coppola, F. |
2 | (show) | Coutinho, J. A. P. |
1 | (show) | de Freitas, A. A. |
1 | (show) | Dreßler, C. |
1 | (show) | Elfgen, R. |
1 | (show) | Esser, L. |
1 | (show) | Ganta, P. B. |
1 | (show) | Gómez, S. |
1 | (show) | Gontrani, L. |
1 | (show) | Hassan, I. |
1 | (show) | Imhof, P. |
1 | (show) | Ferella, F. |
1 | (show) | Ferraro, F. |
2 | (show) | Giovannini, T. |
1 | (show) | Kirchner, B. |
1 | (show) | Kressler, J. |
1 | (show) | Kühn, O. |
1 | (show) | Kumar, A. |
1 | (show) | Lopes, J. N. C. |
1 | (show) | Macchieraldo, R. |
1 | (show) | Marques, H. |
1 | (show) | Martins, M. A. R. |
1 | (show) | Muzio, S. D. |
1 | (show) | Nardone, M. |
1 | (show) | Passos, H. |
1 | (show) | Perrella, F. |
1 | (show) | Peschel, C. |
1 | (show) | Petrone, A. |
1 | (show) | Pinho, S. P. |
1 | (show) | Pulst, M. |
1 | (show) | Radicke, J. |
1 | (show) | Ramondo, F. |
1 | (show) | Restrepo, A. |
1 | (show) | Rega, N. |
1 | (show) | Rojas-Valencia, N. |
1 | (show) | Saielli, G. |
2 | (show) | Schaeffer, N. |
2 | (show) | Sebastiani, D. |
1 | (show) | Shaabani, F. |
1 | (show) | Silva, L. P. |
1 | (show) | Shimizu, K. |
1 | (show) | Sieland, M. |
1 | (show) | Skoko, S. |
1 | (show) | Smarsly, B. M. |
1 | (show) | Thomas, M. |
1 | (show) | Vargas, S. J. R. |
1 | (show) | Weiß, M. |
— Journal List —
Only showing results in journal “Molecules”. Show all citations.
Go to Article List, go to Author List.
The 16 articles shown above were published in 1 different journals.
Citations | Journal Name | |
---|---|---|
16 | (show) | Molecules |