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 “Gontrani, L.”. 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)
27 citations match the query. Show continuous list view.
— 2020 —
| 27 | S. D. Muzio, F. Ramondo, L. Gontrani, F. Ferella, M. Nardone, P. Benassi: "Choline Hydrogen Dicarboxylate Ionic Liquids by X-Ray Scattering, Vibrational Spectroscopy and Molecular Dynamics: H-Fumarate and H-Maleate and Their Conformations" Molecules 2020, 25 (21), 4990. (DOI 10.3390/molecules25214990 ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
— 2019 —
| 26 | F. Lo Celso, G. B. Appetecchi, E. Simonetti, M. Zhao, E. W. Castner, U. Keiderling, L. Gontrani, A. Triolo, O. Russina: "Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids" Front. Chem. 2019, 7, 285. (DOI 10.3389/fchem.2019.00285 ) ⭳ Bib Uses TRAVIS for RDF, CDF. |
| 25 | F. Ramondo, L. Gontrani, M. Campetella: "Coupled Hydroxyl and Ether Functionalisation in EAN Derivatives: The Effect of Hydrogen Bond Donor/Acceptor Groups on the Structural Heterogeneity Studied with X-Ray Diffractions and Fixed Charge/Polarizable Simulations" Phys. Chem. Chem. Phys. 2019, 21 (21), 11464–11475. (DOI 10.1039/C9CP00571D ) ⭳ Bib Uses TRAVIS. |
| 24 | F. Lo Celso, G. B. Appetecchi, E. Simonetti, U. Keiderling, L. Gontrani, A. Triolo, O. Russina: "Mesoscopic Structural Organization in Fluorinated Pyrrolidinium-Based Room Temperature Ionic Liquids" J. Mol. Liq. 2019, 289, 111110. (DOI 10.1016/j.molliq.2019.111110 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
— 2018 —
— 2017 —
— 2016 —
— 2015 —
— 2014 —
| 2 | E. Bodo, S. Mangialardo, F. Capitani, L. Gontrani, F. Leonelli, P. Postorino: "Interaction of a Long Alkyl Chain Protic Ionic Liquid and Water" J. Chem. Phys. 2014, 140 (20), 204503. (DOI 10.1063/1.4876036 ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
— 2013 —
| 1 | M. Campetella, L. Gontrani, E. Bodo, F. Ceccacci, F. C. Marincola, R. Caminiti: "Conformational Isomerisms and Nano-Aggregation in Substituted Alkylammonium Nitrates Ionic Liquids: An X-Ray and Computational Study of 2-Methoxyethylammonium Nitrate" J. Chem. Phys. 2013, 138 (18), 184506. (DOI 10.1063/1.4803799 ) ⭳ Bib Uses TRAVIS for RDF, NI, SFac. |
— Author List —
Only showing results by author “Gontrani, L.”. Show all citations.
Go to Article List, go to Journal List.
63 different authors contributed to the 27 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 27 | (show) | Gontrani, L. |
| 15 | (show) | Campetella, M. |
| 12 | (show) | Caminiti, R. |
| 5 | (show) | Bodo, E. |
| 5 | (show) | Mariani, A. |
| 5 | (show) | Russina, O. |
| 4 | (show) | Lo Celso, F. |
| 4 | (show) | Ramondo, F. |
| 4 | (show) | Triolo, A. |
| 3 | (show) | Appetecchi, G. B. |
| 3 | (show) | Bencivenni, L. |
| 3 | (show) | Santis, S. D. |
| 2 | (show) | Ballirano, P. |
| 2 | (show) | Capitani, F. |
| 2 | (show) | Castner, E. W. |
| 2 | (show) | Jafta, C. J. |
| 2 | (show) | Keiderling, U. |
| 2 | (show) | Leonelli, F. |
| 2 | (show) | Lupi, S. |
| 2 | (show) | Montagna, M. |
| 2 | (show) | Postorino, P. |
| 2 | (show) | Sadun, C. |
| 2 | (show) | Salma, U. |
| 2 | (show) | Scarpellini, E. |
| 2 | (show) | Simonetti, E. |
| 2 | (show) | Tanzi, L. |
| 1 | (show) | Angiolari, F. |
| 1 | (show) | Benassi, P. |
| 1 | (show) | Bordi, F. |
| 1 | (show) | Bovi, D. |
| 1 | (show) | Ceccacci, F. |
| 1 | (show) | Crisante, F. |
| 1 | (show) | Daniele, M. |
| 1 | (show) | D’Apuzzo, F. |
| 1 | (show) | D’Ilario, L. |
| 1 | (show) | Fasolato, C. |
| 1 | (show) | Francolini, I. |
| 1 | (show) | Guidoni, L. |
| 1 | (show) | Ferella, F. |
| 1 | (show) | Kirchner, B. |
| 1 | (show) | Lombardo, R. |
| 1 | (show) | Lopes, J. N. C. |
| 1 | (show) | Luca, A. D. |
| 1 | (show) | Macchiagodena, M. |
| 1 | (show) | Mangialardo, S. |
| 1 | (show) | Marincola, F. C. |
| 1 | (show) | Martinelli, A. |
| 1 | (show) | Martino, A. |
| 1 | (show) | Mocci, F. |
| 1 | (show) | Muzio, S. D. |
| 1 | (show) | Nardone, M. |
| 1 | (show) | Palumbo, O. |
| 1 | (show) | Paolone, A. |
| 1 | (show) | Piozzi, A. |
| 1 | (show) | Plechkova, N. V. |
| 1 | (show) | Salvitti, G. |
| 1 | (show) | Seddon, K. R. |
| 1 | (show) | Taresco, V. |
| 1 | (show) | Trequattrini, F. |
| 1 | (show) | Usula, M. |
| 1 | (show) | Wu, B. |
| 1 | (show) | Yoshida, Y. |
| 1 | (show) | Zhao, M. |
— Journal List —
Only showing results by author “Gontrani, L.”. Show all citations.
Go to Article List, go to Author List.
The 27 articles shown above were published in 12 different journals.
| Citations | Journal Name | |
|---|---|---|
| 8 | (show) | J. Chem. Phys. |
| 4 | (show) | Phys. Chem. Chem. Phys. |
| 3 | (show) | RSC Adv. |
| 2 | (show) | Chem. Phys. Lett. |
| 2 | (show) | ChemPhysChem |
| 2 | (show) | J. Mol. Liq. |
| 1 | (show) | C. R. Chim. |
| 1 | (show) | Front. Chem. |
| 1 | (show) | J. Phys. Chem. B |
| 1 | (show) | J. Phys. Chem. Lett. |
| 1 | (show) | Mol. Phys. |
| 1 | (show) | Molecules |
