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 “Voronoi-based Domain Analysis” 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)
39 citations match the query. Show continuous list view.
— 2023 —
— 2022 —
— 2021 —
— 2020 —
— 2019 —
— 2018 —
| 7 | S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner: "Structure and Lifetimes in Ionic Liquids and Their Mixtures" Faraday Discuss. 2018, 206, 219–245. (DOI 10.1039/C7FD00166E ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF, Aggr, Domain . |
| 6 | U. Kapoor, J. K. Shah: "Effect of Molecular Solvents of Varying Polarity on the Self-Assembly of 1-n-Dodecyl-3-methylimidazolium Octylsulfate Ionic Liquid" J. Theor. Comput. Chem. 2018, 17 (03), 1840004. (DOI 10.1142/S0219633618400047 ) ⭳ Bib Uses TRAVIS for RDF, Domain . |
| 5 | U. Kapoor, J. K. Shah: "Globular, Sponge-Like to Layer-Like Morphological Transition in 1-n-Alkyl-3-methylimidazolium Octylsulfate Ionic Liquid Homologous Series" J. Phys. Chem. B 2018, 122 (1), 213–228. (DOI 10.1021/acs.jpcb.7b08397 ) ⭳ Bib Uses TRAVIS for RDF, SFac, Domain . |
— 2017 —
| 4 | R. Elfgen, O. Hollóczki, B. Kirchner: "A Molecular Level Understanding of Template Effects in Ionic Liquids" Acc. Chem. Res. 2017, 50 (12), 2949–2957. (DOI 10.1021/acs.accounts.7b00436 ) ⭳ Bib Uses TRAVIS for SDF, CDF, Domain . |
— 2016 —
| 3 | A. Mariani, R. Caminiti, M. Campetella, L. Gontrani: "Pressure-Induced Mesoscopic Disorder in Protic Ionic Liquids: First Computational Study" Phys. Chem. Chem. Phys. 2016, 18 (4), 2297–2302. (DOI 10.1039/C5CP06800B ) ⭳ Bib Uses TRAVIS for SDF, Domain . |
| 2 | D. S. Firaha, M. Thomas, O. Hollóczki, M. Korth, B. Kirchner: "Can Dispersion Corrections Annihilate the Dispersion-Driven Nano-Aggregation of Non-Polar Groups? An ab initio Molecular Dynamics Study of Ionic Liquid Systems" J. Chem. Phys. 2016, 145 (20), 204502. (DOI 10.1063/1.4967861 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, MSD, Domain , Spec. |
— 2015 —
| 1 | M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner: "Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids" ChemPhysChem 2015, 16 (15), 3271–3277. (DOI 10.1002/cphc.201500471 ) ⭳ Bib Uses TRAVIS for RDF, Domain . |
— Author List —
Only showing work with “Voronoi-based Domain Analysis” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
90 different authors contributed to the 39 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 2 | (show) | Abranches, D. O. |
| 1 | (show) | Alcalde, R. |
| 1 | (show) | Alizadeh, V. |
| 2 | (show) | Aparicio, S. |
| 2 | (show) | Atilhan, M. |
| 1 | (show) | Ávila, J. |
| 3 | (show) | Balducci, A. |
| 1 | (show) | Bastos, H. |
| 1 | (show) | Batchu, N. K. |
| 2 | (show) | Benito, C. |
| 2 | (show) | Berthin, R. |
| 1 | (show) | Binnemans, K. |
| 1 | (show) | Biswas, A. |
| 3 | (show) | Brehm, M. |
| 1 | (show) | Brige, A. |
| 1 | (show) | Caminiti, R. |
| 1 | (show) | Campetella, M. |
| 1 | (show) | Celia-Silva, L. G. |
| 1 | (show) | Champagne, B. |
| 2 | (show) | Clark, R. |
| 1 | (show) | Cosby, T. |
| 4 | (show) | Coutinho, J. A. P. |
| 1 | (show) | Crema, A. P. S. |
| 1 | (show) | Dick, L. |
| 2 | (show) | Dubouis, N. |
| 3 | (show) | Elfgen, R. |
| 1 | (show) | Esser, L. |
| 1 | (show) | Fontaine, O. |
| 1 | (show) | France-Lanord, A. |
| 1 | (show) | Gomes, M. C. |
| 1 | (show) | Gontrani, L. |
| 2 | (show) | Grimaud, A. |
| 6 | (show) | Hollóczki, O. |
| 1 | (show) | Filipe, E. J. M. |
| 1 | (show) | Firaha, D. S. |
| 1 | (show) | Geller, D. |
| 1 | (show) | Hespanhol, M. C. |
| 6 | (show) | Gehrke, S. |
| 1 | (show) | Jayaraman, A. |
| 1 | (show) | Jeanmairet, G. |
| 4 | (show) | Kapoor, U. |
| 13 | (show) | Kirchner, B. |
| 1 | (show) | Korth, M. |
| 1 | (show) | Li, Z. |
| 1 | (show) | Liu, S. |
| 1 | (show) | Liu, Y. |
| 1 | (show) | Lucas, E. F. |
| 1 | (show) | Luzar, A. |
| 2 | (show) | Macchieraldo, R. |
| 1 | (show) | Malberg, F. |
| 3 | (show) | Mallik, B. S. |
| 1 | (show) | Mariani, A. |
| 1 | (show) | Martins, L. F. G. |
| 1 | (show) | Martins, M. A. R. |
| 1 | (show) | Mazzilli, V. |
| 1 | (show) | Memar, Z. O. |
| 1 | (show) | Méndez-Morales, T. |
| 4 | (show) | Moosavi, M. |
| 1 | (show) | Morgado, P. |
| 1 | (show) | Padua, A. A. H. |
| 1 | (show) | Pádua, A. A. H. |
| 2 | (show) | Passos, H. |
| 1 | (show) | Pérez-Sánchez, G. |
| 1 | (show) | Pinho, S. P. |
| 1 | (show) | Porcheron, B. |
| 1 | (show) | Ramos, T. N. |
| 3 | (show) | Ray, P. |
| 2 | (show) | Reddy, T. D. N. |
| 1 | (show) | Rozas, S. |
| 1 | (show) | Saielli, G. |
| 1 | (show) | Salager, E. |
| 4 | (show) | Salanne, M. |
| 1 | (show) | Sánchez, P. B. |
| 1 | (show) | Sangoro, J. |
| 4 | (show) | Schaeffer, N. |
| 2 | (show) | Serva, A. |
| 3 | (show) | Shah, J. K. |
| 2 | (show) | Silva, L. P. |
| 1 | (show) | Sieland, M. |
| 1 | (show) | Smarsly, B. M. |
| 3 | (show) | Stettner, T. |
| 3 | (show) | Thomas, M. |
| 3 | (show) | Torkzadeh, M. |
| 2 | (show) | Vargas, S. J. R. |
| 1 | (show) | Vilela, P. B. |
| 1 | (show) | von Domaros, M. |
| 1 | (show) | Wang, Y. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Welton, T. |
| 1 | (show) | Zamora, L. |
— Journal List —
Only showing work with “Voronoi-based Domain Analysis” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 39 articles shown above were published in 19 different journals.
| Citations | Journal Name | |
|---|---|---|
| 7 | (show) | J. Phys. Chem. B |
| 4 | (show) | J. Mol. Liq. |
| 4 | (show) | Phys. Chem. Chem. Phys. |
| 3 | (show) | ChemPhysChem |
| 3 | (show) | J. Chem. Phys. |
| 3 | (show) | Molecules |
| 2 | (show) | ChemSusChem |
| 2 | (show) | J. Phys. Chem. Lett. |
| 1 | (show) | Acc. Chem. Res. |
| 1 | (show) | Batter. Supercaps |
| 1 | (show) | Energy Fuels |
| 1 | (show) | Energy Storage Mater. |
| 1 | (show) | Faraday Discuss. |
| 1 | (show) | Green Chem. |
| 1 | (show) | Green Chem. Eng. |
| 1 | (show) | Hydrometallurgy |
| 1 | (show) | J. Theor. Comput. Chem. |
| 1 | (show) | Nature Catalysis |
| 1 | (show) | RSC Adv. |
