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). |
— Work Citing TRAVIS —
Only showing results in journal “J. Mol. Liq.”. Show all citations.
Go to Author List, go to Journal List.
Show only articles where TRAVIS was used to compute...
... any result (512)
... RDFs (g(r), Radial Distribution Functions) (209)
... Number Integrals / Coordination Numbers (56)
... SDFs (Spatial Distribution Functions) (256)
... CDFs (Combined Distribution Functions) (146)
... 3D CDFs (3)
... Structure Factors / van Howe Correlations (33)
... Density Profiles (9)
... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (53)
... MSDs (Mean Square Displacements), Diffusion Coefficients (32)
... Vector Reorientation Dynamics / Rotational Relaxation Times (9)
... Voronoi Statistics / Surface Coverage / Visualization (14)
... Voronoi-based Domain Analysis (24)
... Power Spectra / Vibrational Density of States (48)
... Vibrational Spectra (IR, Raman, VCD, ROA) (56)
... Bulk Phase Normal Modes (6)
53 citations match the query. Show continuous list view.
— 2021 —
— 2020 —
— 2019 —
— 2018 —
| 13 | S. Agrawal, H. K. Kashyap: "Structures of Binary Mixtures of Ionic Liquid 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide with Primary Alcohols: The Role of Hydrogen-Bonding" J. Mol. Liq. 2018, 261, 337–349. (DOI 10.1016/j.molliq.2018.03.124 ) ⭳ Bib Uses TRAVIS for SDF. |
| 12 | N. Zec, A. Idrissi, M. Bešter-Rogač, M. B. Vraneš, S. B. Gadžurić: "Insights into Interactions between 1-Butyl-3-methylimidazolium Dicyanamide and Molecular Solvents: Γ-Valerolactone, Γ-Butyrolactone and Propylene Carbonate. Volumetric Properties and MD Simulations" J. Mol. Liq. 2018, 268, 481–489. (DOI 10.1016/j.molliq.2018.07.079 ) ⭳ Bib Uses TRAVIS for CDF. |
| 11 | M. Pezeshki, M. H. Ghatee: "Properties Investigation of Protic Morpholinium-Based Ionic Liquids by Molecular Dynamics Simulation and Quantum Chemical Calculations" J. Mol. Liq. 2018, 272, 554–564. (DOI 10.1016/j.molliq.2018.09.053 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2017 —
— 2015 —
| 5 | L. M. Varela, T. Méndez-Morales, J. Carrete, V. Gómez-González, B. Docampo-Álvarez, L. J. Gallego, O. Cabeza, O. Russina: "Solvation of Molecular Cosolvents and Inorganic Salts in Ionic Liquids: A Review of Molecular Dynamics Simulations" J. Mol. Liq. 2015, 210, 178–188. (DOI 10.1016/j.molliq.2015.06.036 ) ⭳ Bib Uses TRAVIS for RDF. |
| 4 | S. Biswas, B. S. Mallik: "Aqueous Solvation of an Amide Molecule from First Principles Molecular Simulations: Structure, Hydrogen Bond Dynamics and Spectral Signature" J. Mol. Liq. 2015, 212, 941–946. (DOI 10.1016/j.molliq.2015.11.005 ) ⭳ Bib Uses TRAVIS for CDF. |
| 3 | 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. |
— 2014 —
| 2 | S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. B. C. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner: "Understanding Ionic Liquids from Theoretical Methods" J. Mol. Liq. 2014, 192, 71–76. (DOI 10.1016/j.molliq.2013.08.015 ) ⭳ Bib Uses TRAVIS for SDF, CDF. |
— 2013 —
| 1 | P. J. di Dio: "Thermal Stability of Water up to Super-Critical States: Application of the Singular Value Decomposition and Grund Functions" J. Mol. Liq. 2013, 187, 206–217. (DOI 10.1016/j.molliq.2013.07.013 ) ⭳ Bib Uses TRAVIS for SDF. |
— Author List —
Only showing results in journal “J. Mol. Liq.”. Show all citations.
Go to Article List, go to Journal List.
160 different authors contributed to the 53 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 8 | (show) | Aparicio, S. |
| 5 | (show) | Russina, O. |
| 4 | (show) | Idrissi, A. |
| 4 | (show) | Mallik, B. S. |
| 4 | (show) | Triolo, A. |
| 3 | (show) | Atilhan, M. |
| 3 | (show) | Biswas, S. |
| 3 | (show) | Cordeiro, M. N. D. S. |
| 3 | (show) | Hosseini, S. M. |
| 3 | (show) | Koverga, V. A. |
| 3 | (show) | Voroshylova, I. V. |
| 2 | (show) | Ahmadi, R. |
| 2 | (show) | Alavianmehr, M. M. |
| 2 | (show) | Alcalde, R. |
| 2 | (show) | Bol, A. |
| 2 | (show) | Borah, S. |
| 2 | (show) | Brehm, M. |
| 2 | (show) | Caminiti, R. |
| 2 | (show) | Celso, F. L. |
| 2 | (show) | Ebrahimi, S. |
| 2 | (show) | Ferreira, E. S. C. |
| 2 | (show) | Gadžurić, S. B. |
| 2 | (show) | Gontrani, L. |
| 2 | (show) | Gutiérrez, A. |
| 2 | (show) | Figueiredo, N. M. |
| 2 | (show) | Kalugin, O. N. |
| 2 | (show) | Mariani, A. |
| 2 | (show) | Maritsa, L. |
| 2 | (show) | Mbaiwa, F. |
| 2 | (show) | Sadeghi, R. |
| 2 | (show) | Shokri, S. |
| 2 | (show) | Trenzado, J. L. |
| 2 | (show) | Varela, L. M. |
| 2 | (show) | Vraneš, M. B. |
| 2 | (show) | Zakiryanov, D. O. |
| 2 | (show) | Zakiryanova, I. D. |
| 2 | (show) | Zec, N. |
| 1 | (show) | Agrawal, S. |
| 1 | (show) | Aguilar, N. |
| 1 | (show) | Ajduković, J. |
| 1 | (show) | Appetecchi, G. B. |
| 1 | (show) | Banerjee, S. |
| 1 | (show) | Banerjee, T. |
| 1 | (show) | Barros, R. |
| 1 | (show) | Bencivenni, L. |
| 1 | (show) | Bešter-Rogač, M. |
| 1 | (show) | Bielicka-Giełdoń, A. |
| 1 | (show) | Biswas, A. |
| 1 | (show) | Biswas, R. |
| 1 | (show) | Bobrowski, M. |
| 1 | (show) | Brüssel, M. |
| 1 | (show) | Bruździak, P. |
| 1 | (show) | Cabeza, O. |
| 1 | (show) | Campetella, M. |
| 1 | (show) | Capitani, F. |
| 1 | (show) | Carrete, J. |
| 1 | (show) | Chakraborty, D. |
| 1 | (show) | Cincotti, A. |
| 1 | (show) | Cisneros, G. A. |
| 1 | (show) | Coronas, A. |
| 1 | (show) | Cui, P. |
| 1 | (show) | Czaplewski, C. |
| 1 | (show) | Daniele, M. |
| 1 | (show) | di Dio, P. J. |
| 1 | (show) | Dilip, H. N. |
| 1 | (show) | Docampo-Álvarez, B. |
| 1 | (show) | El-Shaikh, M. |
| 1 | (show) | Fakhraee, M. |
| 1 | (show) | Fasolato, C. |
| 1 | (show) | Flores-Ruiz, H. M. |
| 1 | (show) | Formoso, E. |
| 1 | (show) | Gallego, L. J. |
| 1 | (show) | Gärtner, S. |
| 1 | (show) | Goel, H. |
| 1 | (show) | Gómez-González, V. |
| 1 | (show) | Han, E.-H. |
| 1 | (show) | Hollóczki, O. |
| 1 | (show) | Jackson, A. A. |
| 1 | (show) | Fileti, E. E. |
| 1 | (show) | Ghatee, M. H. |
| 1 | (show) | Ghorai, P. K. |
| 1 | (show) | Giełdoń, A. |
| 1 | (show) | Kartha, T. R. |
| 1 | (show) | Kashyap, H. K. |
| 1 | (show) | Keeble, D. S. |
| 1 | (show) | Keiderling, U. |
| 1 | (show) | Kgagodi, O. W. |
| 1 | (show) | Kirchner, B. |
| 1 | (show) | Kohagen, M. |
| 1 | (show) | Korsun, O. M. |
| 1 | (show) | Kowsari, M. H. |
| 1 | (show) | Kumar, N. |
| 1 | (show) | Kumar, P. P. |
| 1 | (show) | Larrechi, M. S. |
| 1 | (show) | Lehmann, S. B. C. |
| 1 | (show) | Leonelli, F. |
| 1 | (show) | Lisio, V. D. |
| 1 | (show) | Liu, F. |
| 1 | (show) | Liu, X. |
| 1 | (show) | Lo Celso, F. |
| 1 | (show) | Lupi, S. |
| 1 | (show) | Ma, Z. |
| 1 | (show) | Malberg, F. |
| 1 | (show) | Marekha, B. A. |
| 1 | (show) | Martel, S. |
| 1 | (show) | Maszota, P. |
| 1 | (show) | Méndez-Morales, T. |
| 1 | (show) | Miannay, F.-A. |
| 1 | (show) | Mohebbi, A. |
| 1 | (show) | Moghaddari, M. |
| 1 | (show) | Moosavi, M. |
| 1 | (show) | Moradi, K. |
| 1 | (show) | Naderi, O. |
| 1 | (show) | Naik, P. K. |
| 1 | (show) | Nyepetsi, M. |
| 1 | (show) | Page, A. J. |
| 1 | (show) | Panaget, T. |
| 1 | (show) | Panuszko, A. |
| 1 | (show) | Papović, S. |
| 1 | (show) | Pensado, A. S. |
| 1 | (show) | Pereira, C. M. |
| 1 | (show) | Pezeshki, M. |
| 1 | (show) | Plechkova, N. V. |
| 1 | (show) | Postorino, P. |
| 1 | (show) | Pouramini, Z. |
| 1 | (show) | Rai, N. |
| 1 | (show) | Rajbangshi, J. |
| 1 | (show) | Rezabal, E. |
| 1 | (show) | Rodríguez-Barrios, M. S. |
| 1 | (show) | Rodríguez-Fortea, A. |
| 1 | (show) | Rozas, S. |
| 1 | (show) | Salavera, D. |
| 1 | (show) | Sampaio, A. M. |
| 1 | (show) | Schöppke, M. |
| 1 | (show) | Simonetti, E. |
| 1 | (show) | Siqueira, L. J. A. |
| 1 | (show) | Shi, H. |
| 1 | (show) | Śmiechowski, M. |
| 1 | (show) | Smortsova, Y. |
| 1 | (show) | Soleymanibrojeni, M. |
| 1 | (show) | Stangret, J. |
| 1 | (show) | Stasiulewicz, M. |
| 1 | (show) | Stefanovic, R. |
| 1 | (show) | Tkachev, N. K. |
| 1 | (show) | Torkzadeh, M. |
| 1 | (show) | Vázquez-Montelongo, E. A. |
| 1 | (show) | Wang, Y. |
| 1 | (show) | Webber, G. B. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Windom, Z. W. |
| 1 | (show) | Wong, B. M. |
| 1 | (show) | Yao, D. |
| 1 | (show) | Yixin, M. |
| 1 | (show) | Yousefi, F. |
| 1 | (show) | Zahn, S. |
| 1 | (show) | Zhang, W. |
| 1 | (show) | Zhang, Z. |
| 1 | (show) | Zhao, J. |
| 1 | (show) | Zhu, Z. |
| 1 | (show) | Zubeltzu, J. |
— Journal List —
Only showing results in journal “J. Mol. Liq.”. Show all citations.
Go to Article List, go to Author List.
The 53 articles shown above were published in 1 different journals.
| Citations | Journal Name | |
|---|---|---|
| 53 | (show) | J. Mol. Liq. |
