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 “Bodo, E.”. 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)
10 citations match the query. Show continuous list view.
— 2021 —
| 10 | A. Mariani, L. Engelbrecht, A. L. Donne, F. Mocci, E. Bodo, S. Passerini: "Disclosing the Hierarchical Structure of Ionic Liquid Mixtures by Multiscale Computational Methods" Theoretical and Computational Approaches to Predicting Ionic Liquid Properties 2021, 1–67. (DOI 10.1016/B978-0-12-820280-7.00014-0 ) ⭳ Bib Uses TRAVIS. |
— 2019 —
| 9 | D. Corinti, A. Maccelli, B. Chiavarino, P. Maitre, D. Scuderi, E. Bodo, S. Fornarini, M. E. Crestoni: "Vibrational Signatures of Curcumin’s Chelation in Copper(II) Complexes: An Appraisal by IRMPD Spectroscopy" J. Chem. Phys. 2019, 150 (16), 165101. (DOI 10.1063/1.5086666 ) ⭳ Bib Uses TRAVIS. |
— 2017 —
| 8 | M. Campetella, M. Montagna, L. Gontrani, E. Scarpellini, E. Bodo: "Unexpected Proton Mobility in the Bulk Phase of Cholinium-Based Ionic Liquids: New Insights from Theoretical Calculations" Phys. Chem. Chem. Phys. 2017, 19 (19), 11869–11880. (DOI 10.1039/C7CP01050H ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
— 2016 —
| 7 | M. Campetella, E. Bodo, M. Montagna, S. D. Santis, L. Gontrani: "Theoretical Study of Ionic Liquids Based on the Cholinium Cation. Ab initio Simulations of their Condensed Phases" J. Chem. Phys. 2016, 144 (10), 104504. (DOI 10.1063/1.4943197 ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
| 6 | D. Scuderi, E. Bodo, B. Chiavarino, S. Fornarini, M. E. Crestoni: "Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations" Chem. Eur. J 2016, 22 (48), 17239–17250. (DOI 10.1002/chem.201603298 ) ⭳ Bib Uses TRAVIS for RDF, Power. |
— 2015 —
| 5 | M. Campetella, E. Bodo, R. Caminiti, A. Martino, F. D’Apuzzo, S. Lupi, L. Gontrani: "Interaction and Dynamics of Ionic Liquids Based on Choline and Amino Acid Anions" J. Chem. Phys. 2015, 142 (23), 234502. (DOI 10.1063/1.4922442 ) ⭳ Bib Uses TRAVIS for SDF, Spec. |
| 4 | E. Bodo: "Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of their Coordination Shell" J. Phys. Chem. B 2015, 119 (35), 11833–11838. (DOI 10.1021/acs.jpcb.5b06387 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF. |
— 2014 —
| 3 | 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 —
| 2 | 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. |
| 1 | E. Bodo, A. Sferrazza, R. Caminiti, S. Mangialardo, P. Postorino: "A Prototypical Ionic Liquid Explored by ab initio Molecular Dynamics and Raman Spectroscopy" J. Chem. Phys. 2013, 139 (14), 144309. (DOI 10.1063/1.4823824 ) ⭳ Bib Uses TRAVIS for SDF. |
— Author List —
Only showing results by author “Bodo, E.”. Show all citations.
Go to Article List, go to Journal List.
29 different authors contributed to the 10 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 10 | (show) | Bodo, E. |
| 5 | (show) | Gontrani, L. |
| 4 | (show) | Campetella, M. |
| 3 | (show) | Caminiti, R. |
| 2 | (show) | Chiavarino, B. |
| 2 | (show) | Crestoni, M. E. |
| 2 | (show) | Fornarini, S. |
| 2 | (show) | Mangialardo, S. |
| 2 | (show) | Montagna, M. |
| 2 | (show) | Postorino, P. |
| 2 | (show) | Scuderi, D. |
| 1 | (show) | Capitani, F. |
| 1 | (show) | Ceccacci, F. |
| 1 | (show) | Corinti, D. |
| 1 | (show) | Donne, A. L. |
| 1 | (show) | D’Apuzzo, F. |
| 1 | (show) | Engelbrecht, L. |
| 1 | (show) | Leonelli, F. |
| 1 | (show) | Lupi, S. |
| 1 | (show) | Maccelli, A. |
| 1 | (show) | Maitre, P. |
| 1 | (show) | Mariani, A. |
| 1 | (show) | Marincola, F. C. |
| 1 | (show) | Martino, A. |
| 1 | (show) | Mocci, F. |
| 1 | (show) | Passerini, S. |
| 1 | (show) | Santis, S. D. |
| 1 | (show) | Scarpellini, E. |
| 1 | (show) | Sferrazza, A. |
— Journal List —
Only showing results by author “Bodo, E.”. Show all citations.
Go to Article List, go to Author List.
The 10 articles shown above were published in 5 different journals.
| Citations | Journal Name | |
|---|---|---|
| 6 | (show) | J. Chem. Phys. |
| 1 | (show) | Chem. Eur. J |
| 1 | (show) | J. Phys. Chem. B |
| 1 | (show) | Phys. Chem. Chem. Phys. |
| 1 | (show) | Theoretical and Computational Approaches to Predicting Ionic Liquid Properties |
