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 “Migliorati, V.”. 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)
8 citations match the query. Show continuous list view.
— 2022 —
| 8 | M. Busato, G. Mannucci, V. D. Lisio, A. Martinelli, A. D. Giudice, A. Tofoni, C. D. Bosco, V. Migliorati, A. Gentili, P. D’Angelo: "Structural Study of a Eutectic Solvent Reveals Hydrophobic Segregation and Lack of Hydrogen Bonding between the Components" ACS Sustainable Chem. Eng. 2022, 10 (19), 6337–6345. (DOI 10.1021/acssuschemeng.2c00920 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
— 2020 —
| 7 | M. Busato, A. Melchior, V. Migliorati, A. Colella, I. Persson, G. Mancini, D. Veclani, P. D'Angelo: "Elusive Coordination of the Ag+ Ion in Aqueous Solution: Evidence for a Linear Structure" Inorg. Chem. 2020, 59 (23), 17291–17302. (DOI 10.1021/acs.inorgchem.0c02494 ) ⭳ Bib Uses TRAVIS for RDF, CDF, SFac. |
— 2018 —
| 6 | F. Sessa, V. Migliorati, A. Serva, A. Lapi, G. Aquilanti, G. Mancini, P. D'Angelo: "On the Coordination of Zn2+ Ion in Tf2N− Based Ionic Liquids: Structural and Dynamic Properties Depending on the Nature of the Organic Cation" Phys. Chem. Chem. Phys. 2018, 20 (4), 2662–2675. (DOI 10.1039/C7CP07497B ) ⭳ Bib Uses TRAVIS for SDF. |
| 5 | F. Sessa, P. D'Angelo, V. Migliorati: "Combined Distribution Functions: A Powerful Tool to Identify Cation Coordination Geometries in Liquid Systems" Chem. Phys. Lett. 2018, 691, 437–443. (DOI 10.1016/j.cplett.2017.11.056 ) ⭳ Bib |
— 2015 —
| 4 | V. Migliorati, A. Serva, G. Aquilanti, S. Pascarelli, P. D'Angelo: "Local Order and Long Range Correlations in Imidazolium Halide Ionic Liquids: A Combined Molecular Dynamics and XAS Study" Phys. Chem. Chem. Phys. 2015, 17 (25), 16443–16453. (DOI 10.1039/C5CP01613D ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
| 3 | V. Migliorati, A. Serva, G. Aquilanti, L. Olivi, S. Pascarelli, O. Mathon, P. D'Angelo: "Combining EXAFS Spectroscopy and Molecular Dynamics Simulations to Understand the Structural and Dynamic Properties of an Imidazolium Iodide Ionic Liquid" Phys. Chem. Chem. Phys. 2015, 17 (4), 2464–2474. (DOI 10.1039/C4CP04406A ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, SFac, Aggr. |
| 2 | P. D'Angelo, A. Serva, G. Aquilanti, S. Pascarelli, V. Migliorati: "Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions" J. Phys. Chem. B 2015, 119 (45), 14515–14526. (DOI 10.1021/acs.jpcb.5b08739 ) ⭳ Bib Uses TRAVIS for RDF, SDF, SFac. |
— 2013 —
| 1 | V. Migliorati, A. Zitolo, P. D'Angelo: "Using a Combined Theoretical and Experimental Approach to Understand the Structure and Dynamics of Imidazolium-Based Ionic Liquids/Water Mixtures. 1. MD Simulations" J. Phys. Chem. B 2013, 117 (41), 12505–12515. (DOI 10.1021/jp4048677 ) ⭳ Bib Uses TRAVIS for SDF, Aggr. |
— Author List —
Only showing results by author “Migliorati, V.”. Show all citations.
Go to Article List, go to Journal List.
24 different authors contributed to the 8 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 8 | (show) | Migliorati, V. |
| 7 | (show) | D'Angelo, P. |
| 4 | (show) | Aquilanti, G. |
| 4 | (show) | Serva, A. |
| 3 | (show) | Pascarelli, S. |
| 2 | (show) | Busato, M. |
| 2 | (show) | Mancini, G. |
| 2 | (show) | Sessa, F. |
| 1 | (show) | Bosco, C. D. |
| 1 | (show) | Colella, A. |
| 1 | (show) | D’Angelo, P. |
| 1 | (show) | Gentili, A. |
| 1 | (show) | Giudice, A. D. |
| 1 | (show) | Lapi, A. |
| 1 | (show) | Lisio, V. D. |
| 1 | (show) | Mannucci, G. |
| 1 | (show) | Martinelli, A. |
| 1 | (show) | Mathon, O. |
| 1 | (show) | Melchior, A. |
| 1 | (show) | Olivi, L. |
| 1 | (show) | Persson, I. |
| 1 | (show) | Tofoni, A. |
| 1 | (show) | Veclani, D. |
| 1 | (show) | Zitolo, A. |
— Journal List —
Only showing results by author “Migliorati, V.”. Show all citations.
Go to Article List, go to Author List.
The 8 articles shown above were published in 5 different journals.
| Citations | Journal Name | |
|---|---|---|
| 3 | (show) | Phys. Chem. Chem. Phys. |
| 2 | (show) | J. Phys. Chem. B |
| 1 | (show) | ACS Sustainable Chem. Eng. |
| 1 | (show) | Chem. Phys. Lett. |
| 1 | (show) | Inorg. Chem. |
