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 “Chem. Phys.”. 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)
7 citations match the query. Show continuous list view.
— 2023 —
| 7 | R. Ghosh, C. Parida, S. Chowdhuri: "Hydrogen Bonding Behavior of Ethanol-Trifluoroethanol Binary Mixtures and Its Effects on the Water Structure and Dynamics in Ternary Aqueous-Ethanol-Trifluoroethanol Solutions" Chem. Phys. 2023, 225, 111956. (DOI 10.1016/j.chemphys.2023.111956 ) ⭳ Bib Uses TRAVIS for RDF, SDF, MSD. |
— 2022 —
| 6 | A. Biswas, B. S. Mallik: "Vibrational Spectral Dynamics and Ion-Probe Interactions of the Hydrogen-Bonded Liquids in 1-Ethyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide" Chem. Phys. 2022, 62, 111519. (DOI 10.1016/j.chemphys.2022.111519 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF. |
— 2019 —
| 5 | M. M. Ristić, M. Petković, B. Milovanović, J. Belić, M. Etinski: "New Hybrid Cluster-Continuum Model for pKa Values Calculations: Case Study of Neurotransmitters’ Amino Group Acidity" Chem. Phys. 2019, 516, 55–62. (DOI 10.1016/j.chemphys.2018.08.022 ) ⭳ Bib Uses TRAVIS for RDF. |
| 4 | B. Milovanović, J. Ilić, I. M. Stanković, M. Popara, M. Petković, M. Etinski: "A Simulation of Free Radicals Induced Oxidation of Dopamine in Aqueous Solution" Chem. Phys. 2019, 524, 26–30. (DOI 10.1016/j.chemphys.2019.05.001 ) ⭳ Bib Uses TRAVIS. |
— 2017 —
| 3 | M. H. Ghatee, M. Bahrami: "Emergence of Innovative Properties by Replacement of Nitrogen Atom with Phosphorus Atom in Quaternary Ammonium Ionic Liquids: Insights from ab initio Calculations and MD Simulations" Chem. Phys. 2017, 490, 92–105. (DOI 10.1016/j.chemphys.2017.04.005 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2016 —
| 2 | A. R. Zolghadr, M. H. Ghatee, F. Moosavi: "The Effect of Various Quantum Mechanically Derived Partial Atomic Charges on the Bulk Properties of Chloride-Based Ionic Liquids" Chem. Phys. 2016, 475, 23–31. (DOI 10.1016/j.chemphys.2016.05.022 ) ⭳ Bib Uses TRAVIS for SDF. |
| 1 | A. R. Zolghadr, M. H. Dokoohaki: "Self-Assembly of Neuroprotective Carbazolium Based Small Molecules at Octane/Water Interface: A Simulation Investigation" Chem. Phys. 2016, 480, 1–11. (DOI 10.1016/j.chemphys.2016.10.008 ) ⭳ Bib Uses TRAVIS for CDF. |
— Author List —
Only showing results in journal “Chem. Phys.”. Show all citations.
Go to Article List, go to Journal List.
18 different authors contributed to the 7 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Bahrami, M. |
| 1 | (show) | Belić, J. |
| 1 | (show) | Biswas, A. |
| 1 | (show) | Chowdhuri, S. |
| 1 | (show) | Dokoohaki, M. H. |
| 2 | (show) | Etinski, M. |
| 1 | (show) | Ilić, J. |
| 2 | (show) | Ghatee, M. H. |
| 1 | (show) | Ghosh, R. |
| 1 | (show) | Mallik, B. S. |
| 2 | (show) | Milovanović, B. |
| 1 | (show) | Moosavi, F. |
| 1 | (show) | Parida, C. |
| 2 | (show) | Petković, M. |
| 1 | (show) | Popara, M. |
| 1 | (show) | Ristić, M. M. |
| 1 | (show) | Stanković, I. M. |
| 2 | (show) | Zolghadr, A. R. |
— Journal List —
Only showing results in journal “Chem. Phys.”. Show all citations.
Go to Article List, go to Author List.
The 7 articles shown above were published in 1 different journals.
| Citations | Journal Name | |
|---|---|---|
| 7 | (show) | Chem. Phys. |
