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 “Lo Celso, F.”. 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)
17 citations match the query. Show continuous list view.
— 2023 —
| 17 | A. Triolo, V. V. Chaban, F. Lo Celso, F. Leonelli, M. Vogel, E. Steinrücken, A. D. Giudice, C. Ottaviani, J. A. Kenar, O. Russina: "Oleochemical Carbonates: A Comprehensive Characterization of an Emerging Class of Organic Compounds" J. Mol. Liq. 2023, 369, 120854. (DOI 10.1016/j.molliq.2022.120854 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF, SFac, MSD. |
| 16 | A. Triolo, F. Lo Celso, O. Russina: "Liquid Structure of a Water-Based, Hydrophobic and Natural Deep Eutectic Solvent: The Case of Thymol-Water. A Molecular Dynamics Study" J. Mol. Liq. 2023, 372, 121151. (DOI 10.1016/j.molliq.2022.121151 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, CDF, SFac, CMat. |
— 2022 —
| 15 | A. Triolo, F. Lo Celso, J. Perez, O. Russina: "Solubility and Solvation Features of Native Cyclodextrins in 1-Ethyl-3-methylimidazolium Acetate" Carbohydr. Polym. 2022, 291, 119622. (DOI 10.1016/j.carbpol.2022.119622 ) ⭳ Bib Uses TRAVIS for RDF, CDF, Sankey. |
| 14 | F. Lo Celso, G. Barone, L. Maiuolo, V. Algieri, C. Cretu, P. Calandra: "Dissolution of Nitrones in Alkylphosphates: A Structural Study" J. Mol. Liq. 2022, 367, 120517. (DOI 10.1016/j.molliq.2022.120517 ) ⭳ Bib Uses TRAVIS for RDF, NI. |
| 13 | A. Triolo, A. Paolone, A. Sarra, F. Trequattrini, O. Palumbo, G. BattistaAppetecchi, F. Lo Celso, P. Chater, O. Russina: "Structure and Vibrational Features of the Protic Ionic Liquid 1,8-Diazabicyclo[5.4.0]-undec-7-ene-8-ium Bis(trifluoromethanesulfonyl)amide, [DBUH][TFSI]" J. Mol. Liq. 2022, 347, 117981. (DOI 10.1016/j.molliq.2021.117981 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
— 2021 —
| 12 | A. Triolo, V. D. Lisio, F. Lo Celso, G. B. Appetecchi, B. Fazio, P. Chater, A. Martinelli, F. Sciubba, O. Russina: "Liquid Structure of a Water-in-Salt Electrolyte with a Remarkably Asymmetric Anion" J. Phys. Chem. B 2021, 125 (45), 12500–12517. (DOI 10.1021/acs.jpcb.1c06759 ) ⭳ Bib Uses TRAVIS for RDF. |
| 11 | A. Triolo, M. E. D. Pietro, A. Mele, F. Lo Celso, M. Brehm, V. D. Lisio, A. Martinelli, P. Chater, O. Russina: "Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent" J. Chem. Phys. 2021, 154 (24), 244501. (DOI 10.1063/5.0054048 ) ⭳ Bib Uses TRAVIS for RDF, SDF, SFac, Sankey. |
| 10 | A. Triolo, F. Lo Celso, M. Brehm, V. D. Lisio, O. Russina: "Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization" J. Mol. Liq. 2021, 156, 115750. (DOI 10.1016/j.molliq.2021.115750 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, CDF, SFac. |
— 2020 —
| 9 | A. Triolo, F. Lo Celso, N. V. Plechkova, F. Leonelli, S. Gärtner, D. S. Keeble, O. Russina: "Structure of Anisole Derivatives by Total Neutron and X-Ray Scattering: Evidences of Weak C H⋯O and C H⋯π Interactions in the Liquid State" J. Mol. Liq. 2020, 314, 113795. (DOI 10.1016/j.molliq.2020.113795 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, CDF, SFac. |
| 8 | A. Triolo, F. Lo Celso, O. Russina: "Structural Features of β-Cyclodextrin Solvation in the Deep Eutectic Solvent, Reline" J. Phys. Chem. B 2020, 124 (13), 2652–2660. (DOI 10.1021/acs.jpcb.0c00876 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
— 2019 —
| 7 | 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. |
| 6 | 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. |
| 5 | A. Triolo, F. Lo Celso, C. Ottaviani, P. Ji, G. B. Appetecchi, F. Leonelli, D. S. Keeble, O. Russina: "Structural Features of Selected Protic Ionic Liquids Based on a Super-Strong Base" Phys. Chem. Chem. Phys. 2019, 21 (45), 25369–25378. (DOI 10.1039/C9CP03927A ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
— 2018 —
| 4 | F. Lo Celso, G. B. Appetecchi, C. J. Jafta, L. Gontrani, J. N. C. Lopes, A. Triolo, O. Russina: "Nanoscale Organization in the Fluorinated Room Temperature Ionic Liquid: Tetraethyl Ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide" J. Chem. Phys. 2018, 148 (19), 193816. (DOI 10.1063/1.5016236 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
| 3 | F. Lo Celso, Y. Yoshida, R. Lombardo, C. J. Jafta, L. Gontrani, A. Triolo, O. Russina: "Mesoscopic Structural Organization in Fluorinated Room Temperature Ionic Liquids" C. R. Chim. 2018, 21 (8), 757–770. (DOI 10.1016/j.crci.2018.02.001 ) ⭳ Bib Uses TRAVIS for RDF, SDF, SFac. |
— 2016 —
| 2 | F. Lo Celso, B. Aoun, A. Triolo, O. Russina: "Liquid Structure of Dibutyl Sulfoxide" Phys. Chem. Chem. Phys. 2016, 18 (23), 15980–15987. (DOI 10.1039/C6CP02335E ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, SFac, MSD, RDyn. |
— 2015 —
| 1 | O. Russina, F. Lo Celso, A. Triolo: "Pressure-Responsive Mesoscopic Structures in Room Temperature Ionic Liquids" Phys. Chem. Chem. Phys. 2015, 17 (44), 29496–29500. (DOI 10.1039/C5CP04682C ) ⭳ Bib Uses TRAVIS for CDF, SFac. |
— Author List —
Only showing results by author “Lo Celso, F.”. Show all citations.
Go to Article List, go to Journal List.
44 different authors contributed to the 17 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 17 | (show) | Lo Celso, F. |
| 16 | (show) | Russina, O. |
| 16 | (show) | Triolo, A. |
| 5 | (show) | Appetecchi, G. B. |
| 4 | (show) | Gontrani, L. |
| 3 | (show) | Chater, P. |
| 3 | (show) | Leonelli, F. |
| 3 | (show) | Lisio, V. D. |
| 2 | (show) | Brehm, M. |
| 2 | (show) | Jafta, C. J. |
| 2 | (show) | Keeble, D. S. |
| 2 | (show) | Keiderling, U. |
| 2 | (show) | Martinelli, A. |
| 2 | (show) | Ottaviani, C. |
| 2 | (show) | Simonetti, E. |
| 1 | (show) | Algieri, V. |
| 1 | (show) | Aoun, B. |
| 1 | (show) | Barone, G. |
| 1 | (show) | BattistaAppetecchi, G. |
| 1 | (show) | Calandra, P. |
| 1 | (show) | Castner, E. W. |
| 1 | (show) | Chaban, V. V. |
| 1 | (show) | Cretu, C. |
| 1 | (show) | Fazio, B. |
| 1 | (show) | Gärtner, S. |
| 1 | (show) | Giudice, A. D. |
| 1 | (show) | Ji, P. |
| 1 | (show) | Kenar, J. A. |
| 1 | (show) | Lombardo, R. |
| 1 | (show) | Lopes, J. N. C. |
| 1 | (show) | Maiuolo, L. |
| 1 | (show) | Mele, A. |
| 1 | (show) | Palumbo, O. |
| 1 | (show) | Paolone, A. |
| 1 | (show) | Perez, J. |
| 1 | (show) | Pietro, M. E. D. |
| 1 | (show) | Plechkova, N. V. |
| 1 | (show) | Sarra, A. |
| 1 | (show) | Sciubba, F. |
| 1 | (show) | Steinrücken, E. |
| 1 | (show) | Trequattrini, F. |
| 1 | (show) | Vogel, M. |
| 1 | (show) | Yoshida, Y. |
| 1 | (show) | Zhao, M. |
— Journal List —
Only showing results by author “Lo Celso, F.”. Show all citations.
Go to Article List, go to Author List.
The 17 articles shown above were published in 7 different journals.
| Citations | Journal Name | |
|---|---|---|
| 7 | (show) | J. Mol. Liq. |
| 3 | (show) | Phys. Chem. Chem. Phys. |
| 2 | (show) | J. Chem. Phys. |
| 2 | (show) | J. Phys. Chem. B |
| 1 | (show) | C. R. Chim. |
| 1 | (show) | Carbohydr. Polym. |
| 1 | (show) | Front. Chem. |
