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 “Ribeiro, M. C. C.”. 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)
15 citations match the query. Show continuous list view.
— 2022 —
| 15 | K. Bernardino, M. C. C. Ribeiro: "Pressure and Shear Rate Effects on Viscosity and Structure of Imidazolium-Based Ionic Liquids" Fluid Phase Equilib. 2022, 554, 113345. (DOI 10.1016/j.fluid.2021.113345 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
| 14 | K. Bernardino, M. C. C. Ribeiro: "Role of Density and Electrostatic Interactions in the Viscosity and Non-Newtonian Behavior of Ionic Liquids – a Molecular Dynamics Study" Phys. Chem. Chem. Phys. 2022, 24 (11), 6866–6879. (DOI 10.1039/D1CP05692A ) ⭳ Bib Uses TRAVIS for RDF, SDF, Aggr. |
— 2021 —
| 13 | R. M. de Souza, M. Karttunen, M. C. C. Ribeiro: "Fine-Tuning the Polarizable Cl&Pol Force Field for the Deep Eutectic Solvent Ethaline" J. Chem. Inf. Model. 2021, 61 (12), 5938–5947. (DOI 10.1021/acs.jcim.1c01181 ) ⭳ Bib Uses TRAVIS for SFac. |
| 12 | K. Bernardino, M. C. C. Ribeiro: "Relating the Structure and Dynamics of Ionic Liquids under Shear by Means of Reverse Non-Equilibrium Molecular Dynamics Simulations" Phys. Chem. Chem. Phys. 2021, 23, 13984–13995. (DOI 10.1039/D1CP01205C ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
| 11 | V. H. Paschoal, M. C. C. Ribeiro: "Structure and Dynamics of Aromatic and Alkyl Substituted Imidazolium-Based Ionic Liquids" J. Mol. Liq. 2021, 340, 117285. (DOI 10.1016/j.molliq.2021.117285 ) ⭳ Bib Uses TRAVIS for SDF, SFac. |
— 2020 —
| 10 | K. Bernardino, Y. Zhang, M. C. C. Ribeiro, E. J. Maginn: "Effect of Alkyl-Group Flexibility on the Melting Point of Imidazolium-Based Ionic Liquids" J. Chem. Phys. 2020, 153 (4), 44504. (DOI 10.1063/5.0015992 ) ⭳ Bib Uses TRAVIS for RDF. |
| 9 | K. Bernardino, K. Goloviznina, M. C. Gomes, A. A. H. Pádua, M. C. C. Ribeiro: "Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure" J. Chem. Phys. 2020, 152 (1), 14103. (DOI 10.1063/1.5128693 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
— 2019 —
| 8 | K. Bernardino, T. A. Lima, M. C. C. Ribeiro: "Low-Temperature Phase Transitions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Dicyanamide" J. Phys. Chem. B 2019, 123 (44), 9418–9427. (DOI 10.1021/acs.jpcb.9b07654 ) ⭳ Bib Uses TRAVIS for SDF, Aggr. |
— 2017 —
| 7 | J. Kiefer, K. Noack, T. C. Penna, M. C. C. Ribeiro, H. Weber, B. Kirchner: "Vibrational Signatures of Anionic Cyano Groups in Imidazolium Ionic Liquids" Vib. Spectrosc. 2017, 91, 141–146. (DOI 10.1016/j.vibspec.2016.05.004 ) ⭳ Bib Uses TRAVIS for Power, Spec. |
| 6 | V. H. Paschoal, L. F. O. Faria, M. C. C. Ribeiro: "Vibrational Spectroscopy of Ionic Liquids" Chem. Rev. 2017, 117 (10), 7053–7112. (DOI 10.1021/acs.chemrev.6b00461 ) ⭳ Bib |
| 5 | L. F. O. Faria, V. H. Paschoal, T. A. Lima, F. F. Ferreira, R. S. Freitas, M. C. C. Ribeiro: "Local Order–Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid" J. Phys. Chem. B 2017, 121 (42), 9902–9909. (DOI 10.1021/acs.jpcb.7b08829 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2016 —
| 4 | T. A. Lima, V. H. Paschoal, L. F. O. Faria, M. C. C. Ribeiro, C. Giles: "Comparing Two Tetraalkylammonium Ionic Liquids. I. Liquid Phase Structure" J. Chem. Phys. 2016, 144 (22), 224504. (DOI 10.1063/1.4953414 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
| 3 | K. B. Dhungana, L. F. O. Faria, B. Wu, M. Liang, M. C. C. Ribeiro, C. J. Margulis, E. W. Castner: "Structure of Cyano-Anion Ionic Liquids: X-Ray Scattering and Simulations" J. Chem. Phys. 2016, 145 (2), 24503. (DOI 10.1063/1.4955186 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2015 —
| 2 | V. L. Martins, N. Sanchez-Ramirez, M. C. C. Ribeiro, R. M. Torresi: "Two Phosphonium Ionic Liquids with High Li+ Transport Number" Phys. Chem. Chem. Phys. 2015, 17 (35), 23041–23051. (DOI 10.1039/C5CP02799C ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
— 2014 —
| 1 | N. Sanchez-Ramirez, V. L. Martins, R. A. Ando, F. F. Camilo, S. M. Urahata, M. C. C. Ribeiro, R. M. Torresi: "Physicochemical Properties of Three Ionic Liquids Containing a Tetracyanoborate Anion and Their Lithium Salt Mixtures" J. Phys. Chem. B 2014, 118 (29), 8772–8781. (DOI 10.1021/jp505051v ) ⭳ Bib Uses TRAVIS for SDF, CDF. |
— Author List —
Only showing results by author “Ribeiro, M. C. C.”. Show all citations.
Go to Article List, go to Journal List.
31 different authors contributed to the 15 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Ando, R. A. |
| 6 | (show) | Bernardino, K. |
| 1 | (show) | Camilo, F. F. |
| 1 | (show) | Castner, E. W. |
| 1 | (show) | de Souza, R. M. |
| 1 | (show) | Dhungana, K. B. |
| 4 | (show) | Faria, L. F. O. |
| 1 | (show) | Freitas, R. S. |
| 1 | (show) | Goloviznina, K. |
| 1 | (show) | Gomes, M. C. |
| 1 | (show) | Ferreira, F. F. |
| 1 | (show) | Giles, C. |
| 1 | (show) | Karttunen, M. |
| 1 | (show) | Kirchner, B. |
| 1 | (show) | Kiefer, J. |
| 1 | (show) | Liang, M. |
| 3 | (show) | Lima, T. A. |
| 1 | (show) | Maginn, E. J. |
| 1 | (show) | Margulis, C. J. |
| 2 | (show) | Martins, V. L. |
| 1 | (show) | Noack, K. |
| 1 | (show) | Pádua, A. A. H. |
| 4 | (show) | Paschoal, V. H. |
| 1 | (show) | Penna, T. C. |
| 15 | (show) | Ribeiro, M. C. C. |
| 2 | (show) | Sanchez-Ramirez, N. |
| 2 | (show) | Torresi, R. M. |
| 1 | (show) | Urahata, S. M. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Wu, B. |
| 1 | (show) | Zhang, Y. |
— Journal List —
Only showing results by author “Ribeiro, M. C. C.”. Show all citations.
Go to Article List, go to Author List.
The 15 articles shown above were published in 8 different journals.
| Citations | Journal Name | |
|---|---|---|
| 4 | (show) | J. Chem. Phys. |
| 3 | (show) | J. Phys. Chem. B |
| 3 | (show) | Phys. Chem. Chem. Phys. |
| 1 | (show) | Chem. Rev. |
| 1 | (show) | Fluid Phase Equilib. |
| 1 | (show) | J. Chem. Inf. Model. |
| 1 | (show) | J. Mol. Liq. |
| 1 | (show) | Vib. Spectrosc. |
