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 Statistics / Surface Coverage / Visualization” 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)
20 citations match the query. Show continuous list view.
— 2023 —
| 20 | C. Benito, R. Alcalde, M. Atilhan, S. Aparicio: "High-Pressure Properties of Type V Natural Deep Eutectic Solvents: The Case of Menthol : Thymol" J. Mol. Liq. 2023, 376, 121398. (DOI 10.1016/j.molliq.2023.121398 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, CDF, SFac, MSD, Voro , Domain. |
| 19 | J. L. Trenzado, C. Benito, M. A. Escobedo-Monge, M. Atilhan, S. Aparicio: "Cineole – Decanoic Acid Hydrophobic Natural Deep Eutectic Solvent for Toluene Absorption" J. Mol. Liq. 2023, 19, 122036. (DOI 10.1016/j.molliq.2023.122036 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, Voro . |
— 2021 —
— 2020 —
— 2019 —
| 6 | S. Gehrke, R. Macchieraldo, B. Kirchner: "Understanding the Fluidity of Condensed Phase Systems in Terms of Voids—Novel Algorithm, Implementation and Application" Phys. Chem. Chem. Phys. 2019, 21 (9), 4988–4997. (DOI 10.1039/C8CP07120A ) ⭳ Bib Uses TRAVIS for RDF, Aggr, Voro . |
— 2018 —
| 5 | M. Brehm, D. Sebastiani: "Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-methylimidazolium Acetate" J. Chem. Phys. 2018, 148 (19), 193802. (DOI 10.1063/1.5010342 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF, Aggr, Voro , Power, NC. |
| 4 | R. Macchieraldo, L. Esser, R. Elfgen, P. Voepel, S. Zahn, B. M. Smarsly, B. Kirchner: "Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water" ACS Omega 2018, 3 (8), 8567–8582. (DOI 10.1021/acsomega.8b00995 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF, Aggr, Voro , Power. |
— 2015 —
| 3 | D. S. Firaha, M. Kavalchuk, B. Kirchner: "SO2 Solvation in the 1-Ethyl-3-methylimidazolium Thiocyanate Ionic Liquid by Incorporation into the Extended Cation–Anion Network" J. Solution Chem. 2015, 44 (3-4), 838–849. (DOI 10.1007/s10953-015-0321-5 ) ⭳ Bib Uses TRAVIS for RDF, Voro , Power. |
— 2014 —
| 2 | 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 . |
— 2013 —
| 1 | O. Hollóczki, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner: "Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?" J. Phys. Chem. B 2013, 117 (19), 5898–5907. (DOI 10.1021/jp4004399 ) ⭳ Bib Uses TRAVIS for SDF, CDF, Voro . |
— Author List —
Only showing work with “Voronoi Statistics / Surface Coverage / Visualization” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
56 different authors contributed to the 20 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 9 | (show) | Kirchner, B. |
| 4 | (show) | Hollóczki, O. |
| 3 | (show) | Brehm, M. |
| 3 | (show) | Esser, L. |
| 3 | (show) | Firaha, D. S. |
| 3 | (show) | Gehrke, S. |
| 3 | (show) | Macchieraldo, R. |
| 2 | (show) | Alizadeh, V. |
| 2 | (show) | Aparicio, S. |
| 2 | (show) | Atilhan, M. |
| 2 | (show) | Benito, C. |
| 2 | (show) | Elfgen, R. |
| 2 | (show) | Smarsly, B. M. |
| 1 | (show) | Alcalde, R. |
| 1 | (show) | Baker, G. A. |
| 1 | (show) | Bhawawet, N. |
| 1 | (show) | Brige, A. |
| 1 | (show) | Champagne, B. |
| 1 | (show) | Chan, K.-Y. |
| 1 | (show) | Chip Smith, I. I. J. |
| 1 | (show) | Cybik, R. |
| 1 | (show) | Demir, B. |
| 1 | (show) | Dubouis, N. |
| 1 | (show) | Escobedo-Monge, M. A. |
| 1 | (show) | France-Lanord, A. |
| 1 | (show) | Friedrich, J. |
| 1 | (show) | Grimaud, A. |
| 1 | (show) | Idrissi, A. |
| 1 | (show) | Jayaraman, A. |
| 1 | (show) | Jedlovszky, P. |
| 1 | (show) | Juhasz, A. |
| 1 | (show) | Kalugin, O. N. |
| 1 | (show) | Kapoor, U. |
| 1 | (show) | Kavalchuk, M. |
| 1 | (show) | Koverga, V. A. |
| 1 | (show) | Maity, N. |
| 1 | (show) | Mallik, B. S. |
| 1 | (show) | Miannay, F.-A. |
| 1 | (show) | O’Neill, H. |
| 1 | (show) | Pingali, S. V. |
| 1 | (show) | Polok, K. |
| 1 | (show) | Ramos, T. N. |
| 1 | (show) | Reddy, T. D. N. |
| 1 | (show) | Salanne, M. |
| 1 | (show) | Searles, D. J. |
| 1 | (show) | Sebastiani, D. |
| 1 | (show) | Sieland, M. |
| 1 | (show) | Stark, A. |
| 1 | (show) | Świątek, A. |
| 1 | (show) | Takamuku, T. |
| 1 | (show) | Thomas, M. |
| 1 | (show) | Trenzado, J. L. |
| 1 | (show) | Voepel, P. |
| 1 | (show) | Wagle, D. V. |
| 1 | (show) | Wild, M. |
| 1 | (show) | Zahn, S. |
— Journal List —
Only showing work with “Voronoi Statistics / Surface Coverage / Visualization” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 20 articles shown above were published in 10 different journals.
| Citations | Journal Name | |
|---|---|---|
| 5 | (show) | J. Phys. Chem. B |
| 3 | (show) | J. Chem. Phys. |
| 3 | (show) | J. Mol. Liq. |
| 2 | (show) | Molecules |
| 2 | (show) | Phys. Chem. Chem. Phys. |
| 1 | (show) | ACS Omega |
| 1 | (show) | ChemPhysChem |
| 1 | (show) | J. Chem. Eng. Data |
| 1 | (show) | J. Solution Chem. |
| 1 | (show) | Macromolecules |
