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 “Mariani, A.”. 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.
— 2022 —
— 2021 —
| 13 | 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. |
| 12 | N. Karimi, M. Zarrabeitia, A. Mariani, D. Gatti, A. Varzi, S. Passerini: "Nonfluorinated Ionic Liquid Electrolytes for Lithium Metal Batteries: Ionic Conduction, Electrochemistry, and Interphase Formation" Adv. Energy Mater. 2021, 11 (4), 2003521. (DOI 10.1002/aenm.202003521 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
| 11 | J. Han, A. Mariani, A. Varzi, S. Passerini: "Green and Low-Cost Acetate-Based Electrolytes for the Highly Reversible Zinc Anode" J. Power Sources 2021, 485, 229329. (DOI 10.1016/j.jpowsour.2020.229329 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2020 —
| 10 | J. Han, M. Zarrabeitia, A. Mariani, Z. Jusys, M. Hekmatfar, H. Zhang, D. Geiger, U. Kaiser, R. J. Behm, A. Varzi, S. Passerini: "Halide-Free Water-in-Salt Electrolytes for Stable Aqueous Sodium-Ion Batteries" Nano Energy 2020, 77, 105176. (DOI 10.1016/j.nanoen.2020.105176 ) ⭳ Bib Uses TRAVIS for SDF, CDF. |
— 2019 —
| 9 | A. Mariani, M. Bonomo, S. Passerini: "Statistic-Driven Proton Transfer Affecting Nanoscopic Organization in an Ethylammonium Nitrate Ionic Liquid and 1,4-Diaminobutane Binary Mixture: A Steamy Pizza Model" Symmetry 2019, 11 (11), 1425. (DOI 10.3390/sym11111425 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, SFac. |
— 2018 —
| 8 | M. Campetella, A. Mariani, C. Sadun, B. Wu, E. W. Castner, L. Gontrani: "Structure and Dynamics of Propylammonium Nitrate-Acetonitrile Mixtures: An Intricate Multi-Scale System Probed with Experimental and Theoretical Techniques" J. Chem. Phys. 2018, 148 (13), 134507. (DOI 10.1063/1.5021868 ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
— 2017 —
| 7 | A. Mariani, M. Campetella, C. Fasolato, M. Daniele, F. Capitani, L. Bencivenni, P. Postorino, S. Lupi, R. Caminiti, L. Gontrani: "A Joint Experimental and Computational Study on Ethylammonium Nitrate-Ethylene Glycol 1:1 Mixture. Structural, Kinetic, Dynamic and Spectroscopic Properties" J. Mol. Liq. 2017, 226, 2–8. (DOI 10.1016/j.molliq.2016.08.043 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, Aggr. |
| 6 | A. Mariani, R. Caminiti, F. Ramondo, G. Salvitti, F. Mocci, L. Gontrani: "Inhomogeneity in Ethylammonium Nitrate–Acetonitrile Binary Mixtures: The Highest “low Q Excess” Reported to Date" J. Phys. Chem. Lett. 2017, 8 (15), 3512–3522. (DOI 10.1021/acs.jpclett.7b01244 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
— 2016 —
| 5 | A. Mariani, R. Caminiti, M. Campetella, L. Gontrani: "Pressure-Induced Mesoscopic Disorder in Protic Ionic Liquids: First Computational Study" Phys. Chem. Chem. Phys. 2016, 18 (4), 2297–2302. (DOI 10.1039/C5CP06800B ) ⭳ Bib Uses TRAVIS for SDF, Domain. |
| 4 | A. Mariani, P. Ballirano, F. Angiolari, R. Caminiti, L. Gontrani: "Does High Pressure Induce Structural Reorganization in Linear Alcohols? A Computational Answer" ChemPhysChem 2016, 17 (19), 3023–3029. (DOI 10.1002/cphc.201600268 ) ⭳ Bib Uses TRAVIS for CDF. |
— 2015 —
| 3 | O. Russina, M. Macchiagodena, B. Kirchner, A. Mariani, B. Aoun, M. Russina, R. Caminiti, A. Triolo: "Association in Ethylammonium Nitrate–Dimethyl Sulfoxide Mixtures: First Structural and Dynamical Evidences" J. Non-Cryst. Solids 2015, 407, 333–338. (DOI 10.1016/j.jnoncrysol.2014.08.051 ) ⭳ Bib Uses TRAVIS for RDF, CDF, SFac. |
| 2 | O. Russina, A. Mariani, R. Caminiti, A. Triolo: "Structure of a Binary Mixture of Ethylammonium Nitrate and Methanol" J. Solution Chem. 2015, 44 (3-4), 669–685. (DOI 10.1007/s10953-015-0311-7 ) ⭳ Bib Uses TRAVIS for RDF, CDF. |
| 1 | A. Mariani, O. Russina, R. Caminiti, A. Triolo: "Structural Organization in a Methanol:Ethylammonium Nitrate (1:4) Mixture: A Joint X-Ray/Neutron Diffraction and Computational Study" J. Mol. Liq. 2015, 212, 947–956. (DOI 10.1016/j.molliq.2015.10.054 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, SFac. |
— Author List —
Only showing results by author “Mariani, A.”. Show all citations.
Go to Article List, go to Journal List.
48 different authors contributed to the 17 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 17 | (show) | Mariani, A. |
| 9 | (show) | Passerini, S. |
| 7 | (show) | Caminiti, R. |
| 5 | (show) | Gontrani, L. |
| 5 | (show) | Varzi, A. |
| 5 | (show) | Zarrabeitia, M. |
| 4 | (show) | Han, J. |
| 3 | (show) | Campetella, M. |
| 3 | (show) | Russina, O. |
| 3 | (show) | Triolo, A. |
| 2 | (show) | Behm, R. J. |
| 2 | (show) | Dong, X. |
| 2 | (show) | Jusys, Z. |
| 2 | (show) | Kuenzel, M. |
| 2 | (show) | Liu, X. |
| 2 | (show) | Mele, A. |
| 2 | (show) | Mocci, F. |
| 2 | (show) | Pietro, M. E. D. |
| 1 | (show) | Angiolari, F. |
| 1 | (show) | Aoun, B. |
| 1 | (show) | Ballirano, P. |
| 1 | (show) | Bencivenni, L. |
| 1 | (show) | Bodo, E. |
| 1 | (show) | Bonomo, M. |
| 1 | (show) | Capitani, F. |
| 1 | (show) | Castner, E. W. |
| 1 | (show) | Daniele, M. |
| 1 | (show) | Diemant, T. |
| 1 | (show) | Donne, A. L. |
| 1 | (show) | Elia, G. A. |
| 1 | (show) | Engelbrecht, L. |
| 1 | (show) | Fasolato, C. |
| 1 | (show) | Gatti, D. |
| 1 | (show) | Hekmatfar, M. |
| 1 | (show) | Geiger, D. |
| 1 | (show) | Kaiser, U. |
| 1 | (show) | Karimi, N. |
| 1 | (show) | Kirchner, B. |
| 1 | (show) | Lupi, S. |
| 1 | (show) | Macchiagodena, M. |
| 1 | (show) | Mullaliu, A. |
| 1 | (show) | Postorino, P. |
| 1 | (show) | Ramondo, F. |
| 1 | (show) | Russina, M. |
| 1 | (show) | Sadun, C. |
| 1 | (show) | Salvitti, G. |
| 1 | (show) | Wu, B. |
| 1 | (show) | Zhang, H. |
— Journal List —
Only showing results by author “Mariani, A.”. Show all citations.
Go to Article List, go to Author List.
The 17 articles shown above were published in 15 different journals.
| Citations | Journal Name | |
|---|---|---|
| 2 | (show) | Adv. Energy Mater. |
| 2 | (show) | J. Mol. Liq. |
| 1 | (show) | Adv. Mater. |
| 1 | (show) | ChemPhysChem |
| 1 | (show) | Energy Storage Materials |
| 1 | (show) | J. Chem. Phys. |
| 1 | (show) | J. Non-Cryst. Solids |
| 1 | (show) | J. Phys. Chem. Lett. |
| 1 | (show) | J. Power Sources |
| 1 | (show) | J. Solution Chem. |
| 1 | (show) | Nano Energy |
| 1 | (show) | Phys. Chem. Chem. Phys. |
| 1 | (show) | Small |
| 1 | (show) | Symmetry |
| 1 | (show) | Theoretical and Computational Approaches to Predicting Ionic Liquid Properties |
