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 work with “Sankey Diagrams / Hydrogen Bond Topology” from TRAVIS. 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)
8 citations match the query. Show continuous list view.
— 2023 —
| 8 | J. Radicke, E. Roos, D. Sebastiani, M. Brehm, J. Kressler: "Lactate-based Ionic Liquids as Chiral Solvents for Cellulose" J. Polym. Sci. 2023, 61 (5), 372–384. (DOI 10.1002/pol.20220687 ) ⭳ Bib Uses TRAVIS for Sankey . |
| 7 | E. Roos, D. Sebastiani, M. Brehm: "A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc]/Water Mixtures" Phys. Chem. Chem. Phys. 2023, 25 (12), 8755–8766. (DOI 10.1039/D2CP05636D ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, Sankey , CMat. |
— 2022 —
| 6 | A. Triolo, F. Lo Celso, J. Perez, O. Russina: "Solubility and Solvation Features of Native Cyclodextrins in 1-Ethyl-3-methylimidazolium Acetate" Carbohydr. Polym. 2022, 291, 119622. (DOI 10.1016/j.carbpol.2022.119622 ) ⭳ Bib Uses TRAVIS for RDF, CDF, Sankey . |
— 2021 —
| 5 | A. Triolo, M. E. D. Pietro, A. Mele, F. Lo Celso, M. Brehm, V. D. Lisio, A. Martinelli, P. Chater, O. Russina: "Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent" J. Chem. Phys. 2021, 154 (24), 244501. (DOI 10.1063/5.0054048 ) ⭳ Bib Uses TRAVIS for RDF, SDF, SFac, Sankey . |
| 4 | M. Mohan, H. Choudhary, A. George, B. A. Simmons, K. Sale, J. M. Gladden: "Towards Understanding of Delignification of Grassy and Woody Biomass in Cholinium-Based Ionic Liquids" Green Chem. 2021, 23 (16), 6020–6035. (DOI 10.1039/D1GC01622A ) ⭳ Bib Uses TRAVIS for RDF, SDF, Aggr, Sankey , CMat. |
| 3 | V. Alizadeh, B. Kirchner: "Molecular Level Insight into the Solvation of Cellulose in Deep Eutectic Solvents" J. Chem. Phys. 2021, 155 (8), 84501. (DOI 10.1063/5.0058333 ) ⭳ Bib Uses TRAVIS for RDF, NI, MSD, Voro, Sankey . |
— 2020 —
| 2 | M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler: "Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions" Molecules 2020, 25 (15), 3539. (DOI 10.3390/molecules25153539 ) ⭳ Bib Uses TRAVIS for RDF, SDF, Sankey . |
| 1 | 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 ) ⭳ Bib Uses TRAVIS for CDF, Aggr, MSD, Domain, Power, Spec, NC, Order, Sankey , CMat. |
— Author List —
Only showing work with “Sankey Diagrams / Hydrogen Bond Topology” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
26 different authors contributed to the 8 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Alizadeh, V. |
| 5 | (show) | Brehm, M. |
| 1 | (show) | Chater, P. |
| 1 | (show) | Choudhary, H. |
| 1 | (show) | Gladden, J. M. |
| 1 | (show) | George, A. |
| 1 | (show) | Gehrke, S. |
| 2 | (show) | Kirchner, B. |
| 2 | (show) | Kressler, J. |
| 1 | (show) | Lisio, V. D. |
| 2 | (show) | Lo Celso, F. |
| 1 | (show) | Martinelli, A. |
| 1 | (show) | Mele, A. |
| 1 | (show) | Mohan, M. |
| 1 | (show) | Perez, J. |
| 1 | (show) | Pietro, M. E. D. |
| 1 | (show) | Pulst, M. |
| 2 | (show) | Radicke, J. |
| 2 | (show) | Roos, E. |
| 2 | (show) | Russina, O. |
| 1 | (show) | Sale, K. |
| 3 | (show) | Sebastiani, D. |
| 1 | (show) | Shaabani, F. |
| 1 | (show) | Simmons, B. A. |
| 1 | (show) | Thomas, M. |
| 2 | (show) | Triolo, A. |
— Journal List —
Only showing work with “Sankey Diagrams / Hydrogen Bond Topology” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 8 articles shown above were published in 6 different journals.
| Citations | Journal Name | |
|---|---|---|
| 3 | (show) | J. Chem. Phys. |
| 1 | (show) | Carbohydr. Polym. |
| 1 | (show) | Green Chem. |
| 1 | (show) | J. Polym. Sci. |
| 1 | (show) | Molecules |
| 1 | (show) | Phys. Chem. Chem. Phys. |
