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 by author “Brehm, M.”. 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)
46 citations match the query. Show continuous list view.
— 2023 —
| 46 | 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. |
| 45 | 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. |
| 44 | M.-A. Codescu, T. Kunze, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering: "Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole" J. Phys. Chem. Lett. 2023, 14 (20), 4775–4785. (DOI 10.1021/acs.jpclett.3c00595 ) ⭳ Bib Uses TRAVIS for CDF. |
— 2022 —
| 43 | Y. Yang, J. Cheramy, M. Brehm, Y. Xu: "Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations" ChemPhysChem 2022, 23 (11), e202200161. (DOI 10.1002/cphc.202200161 ) ⭳ Bib Uses TRAVIS for Spec. |
| 42 | T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner: "Cluster Analysis in Liquids: A Novel Tool in Travis" J. Chem. Inf. Model. 2022, 62 (22), 5634–5644. (DOI 10.1021/acs.jcim.2c01244 ) ⭳ Bib Uses TRAVIS for RDF. |
| 41 | R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. T. Lam: "Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt" JACS Au 2022, 2 (12), 2693–2702. (DOI 10.1021/jacsau.2c00526 ) ⭳ Bib Uses TRAVIS for Spec. |
— 2021 —
— 2020 —
— 2019 —
| 30 | M. Brehm, M. Pulst, J. Kressler, D. Sebastiani: "Triazolium-Based Ionic Liquids: A Novel Class of Cellulose Solvents" J. Phys. Chem. B 2019, 123 (18), 3994–4003. (DOI 10.1021/acs.jpcb.8b12082 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
| 29 | M. Brehm, M. Thomas: "Computing Bulk Phase Resonance Raman Spectra from ab initio Molecular Dynamics and Real-Time TDDFT" J. Chem. Theory Comput. 2019, 15 (7), 3901–3905. (DOI 10.1021/acs.jctc.9b00512 ) ⭳ Bib Uses TRAVIS for Spec. |
— 2018 —
— 2017 —
| 23 | C. Peschel, M. Brehm, D. Sebastiani: "Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)" Polymers 2017, 9 (12), 445. (DOI 10.3390/polym9090445 ) ⭳ Bib Uses TRAVIS for RDF. |
| 22 | M. Brehm, M. Thomas: "Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics Simulations" J. Phys. Chem. Lett. 2017, 8 (14), 3409–3414. (DOI 10.1021/acs.jpclett.7b01616 ) ⭳ Bib Uses TRAVIS for Spec. |
| 21 | M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani: "Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers" J. Phys. Chem. B 2017, 121 (35), 8311–8321. (DOI 10.1021/acs.jpcb.7b06520 ) ⭳ Bib Uses TRAVIS for RDF, DProf, MSD, Order. |
— 2015 —
| 20 | M. Thomas, M. Brehm, B. Kirchner: "Voronoi Dipole Moments for the Simulation of Bulk Phase Vibrational Spectra" Phys. Chem. Chem. Phys. 2015, 17 (5), 3207–3213. (DOI 10.1039/C4CP05272B ) ⭳ Bib Uses TRAVIS for Spec. |
| 19 | O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner: "Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures" ChemPhysChem 2015, 16 (15), 3325–3333. (DOI 10.1002/cphc.201500473 ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
| 18 | 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. |
— 2014 —
— 2013 —
— 2012 —
— 2011 —
— Author List —
Only showing results by author “Brehm, M.”. Show all citations.
Go to Article List, go to Journal List.
90 different authors contributed to the 46 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Alizadeh, V. |
| 1 | (show) | Banerjee, S. |
| 1 | (show) | Blasius, J. |
| 46 | (show) | Brehm, M. |
| 3 | (show) | Brüssel, M. |
| 1 | (show) | Bryantsev, V. |
| 1 | (show) | Cerajewski, U. |
| 1 | (show) | Chahal, R. |
| 1 | (show) | Chater, P. |
| 1 | (show) | Chaumont, A. |
| 1 | (show) | Cheramy, J. |
| 1 | (show) | Clark, R. |
| 2 | (show) | Codescu, M.-A. |
| 1 | (show) | Cybik, R. |
| 1 | (show) | Delle Site, L. |
| 1 | (show) | di Dio, P. J. |
| 1 | (show) | Fligg, R. |
| 1 | (show) | Friedrich, J. |
| 1 | (show) | Frömbgen, T. |
| 1 | (show) | Golze, D. |
| 1 | (show) | Hammer, R. |
| 8 | (show) | Hollóczki, O. |
| 1 | (show) | Hunold, J. |
| 1 | (show) | Iacob, C. |
| 1 | (show) | Eisermann, J. |
| 1 | (show) | Firaha, D. S. |
| 1 | (show) | Henkel, S. |
| 2 | (show) | Hinderberger, D. |
| 2 | (show) | Gehrke, S. |
| 1 | (show) | Giernoth, R. |
| 1 | (show) | Kärger, J. |
| 1 | (show) | Kelemen, Z. |
| 22 | (show) | Kirchner, B. |
| 3 | (show) | Kohagen, M. |
| 2 | (show) | Kornilov, O. |
| 1 | (show) | Kremer, F. |
| 3 | (show) | Kressler, J. |
| 1 | (show) | Kunze, T. |
| 1 | (show) | Lam, S. T. |
| 1 | (show) | Lingscheid, Y. |
| 2 | (show) | Lisio, V. D. |
| 2 | (show) | Lehmann, S. B. C. |
| 2 | (show) | Lo Celso, F. |
| 1 | (show) | Luzar, A. |
| 1 | (show) | Macchiagodena, M. |
| 4 | (show) | Malberg, F. |
| 1 | (show) | Martinelli, A. |
| 1 | (show) | Mele, A. |
| 1 | (show) | Müller-Plathe, F. |
| 1 | (show) | Naumov, S. |
| 2 | (show) | Nibbering, E. T. J. |
| 1 | (show) | Nyulászi, L. |
| 1 | (show) | Pasinszki, T. |
| 7 | (show) | Pensado, A. S. |
| 1 | (show) | Peschel, C. |
| 1 | (show) | Pietro, M. E. D. |
| 2 | (show) | Pulst, M. |
| 1 | (show) | Pylaeva, S. A. |
| 2 | (show) | Radicke, J. |
| 1 | (show) | Ramzan, M. |
| 1 | (show) | Roos, A. H. |
| 3 | (show) | Roos, E. |
| 1 | (show) | Roy, S. |
| 3 | (show) | Russina, O. |
| 1 | (show) | Saddiq, G. |
| 1 | (show) | Sangoro, J. |
| 1 | (show) | Scarbath-Evers, L. K. |
| 2 | (show) | Schöppke, M. |
| 11 | (show) | Sebastiani, D. |
| 1 | (show) | Shaabani, F. |
| 1 | (show) | Seitsonen, A. P. |
| 6 | (show) | Stark, A. |
| 2 | (show) | Thar, J. |
| 11 | (show) | Thomas, M. |
| 1 | (show) | Träger, J. |
| 3 | (show) | Triolo, A. |
| 1 | (show) | Valiullin, R. |
| 1 | (show) | Vöhringer, P. |
| 1 | (show) | von Domaros, M. |
| 1 | (show) | Watermann, T. |
| 5 | (show) | Weber, H. |
| 1 | (show) | Welton, T. |
| 1 | (show) | Wendler, K. |
| 1 | (show) | Widdra, W. |
| 1 | (show) | Wild, M. |
| 3 | (show) | Weiß, M. |
| 1 | (show) | Xu, Y. |
| 1 | (show) | Yang, Y. |
| 1 | (show) | Zahn, S. |
| 1 | (show) | Zhao, W. |
— Journal List —
Only showing results by author “Brehm, M.”. Show all citations.
Go to Article List, go to Author List.
The 46 articles shown above were published in 20 different journals.
| Citations | Journal Name | |
|---|---|---|
| 8 | (show) | Phys. Chem. Chem. Phys. |
| 6 | (show) | J. Phys. Chem. B |
| 4 | (show) | ChemPhysChem |
| 4 | (show) | J. Chem. Phys. |
| 3 | (show) | J. Chem. Theory Comput. |
| 3 | (show) | Molecules |
| 2 | (show) | J. Chem. Inf. Model. |
| 2 | (show) | J. Mol. Liq. |
| 2 | (show) | J. Phys. Chem. Lett. |
| 1 | (show) | Chem. Eur. J |
| 1 | (show) | Faraday Discuss. |
| 1 | (show) | J. Cheminf. |
| 1 | (show) | J. Phys. Chem. A |
| 1 | (show) | J. Polym. Sci. |
| 1 | (show) | JACS Au |
| 1 | (show) | Nanoscale |
| 1 | (show) | Polymers |
| 1 | (show) | Sci. Rep. |
| 1 | (show) | Top. Curr. Chem. |
| 1 | (show) | Z. Phys. Chem. |
