TRAVIS – Trajectory Analyzer and Visualizer
|
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 in journal “J. Chem. Phys.”. 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)
63 citations match the query. Show continuous list view.
— 2023 —
| 63 | M. Torkzadeh, M. Moosavi: "CO2 Capture Using Dicationic Ionic Liquids (DILs): Molecular Dynamics and DFT-IR Studies on the Role of Cations" J. Chem. Phys. 2023, 158 (2), 24503. (DOI 10.1063/5.0131507 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, Aggr, MSD, RDyn, Domain. |
| 62 | Y. Nishimura, H. Nakai: "Species-Selective Nanoreactor Molecular Dynamics Simulations Based on Linear-Scaling Tight-Binding Quantum Chemical Calculations" J. Chem. Phys. 2023, 158 (5), 54106. (DOI 10.1063/5.0132573 ) ⭳ Bib Uses TRAVIS for RDF, NI. |
| 61 | S. Chatterjee, T. Chowdhury, S. Bagchi: "Does Variation in Composition Affect Dynamics When Approaching the Eutectic Composition?" J. Chem. Phys. 2023, 158 (11), 114203. (DOI 10.1063/5.0139153 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2022 —
| 60 | F. Khorrami, M. H. Kowsari: "Tracing the Origin of Heterogeneities in the Local Structure and Very Sluggish Dynamics of [Cho][Gly] Ionic Liquid Confined between Rutile and Graphite Slit Nanopores: A MD Study" J. Chem. Phys. 2022, 156 (21), 214701. (DOI 10.1063/5.0092381 ) ⭳ Bib Uses TRAVIS for RDF, CDF, DProf, Aggr, MSD, RDyn, Spec. |
| 59 | T.-Y. Hsu, R. Berthin, A. Serva, K. Reeves, M. Salanne, G. Jeanmairet: "Electron Transfer of Functionalized Quinones in Acetonitrile" J. Chem. Phys. 2022, 157 (9), 94103. (DOI 10.1063/5.0102238 ) ⭳ Bib Uses TRAVIS for SDF, CDF. |
| 58 | A. Hartl, F. Jurányi, M. Krack, P. Lunkenheimer, A. Schulz, D. Sheptyakov, C. Paulmann, M. Appel, S.-H. Park: "Dynamically Disordered Hydrogen Bonds in the Hureaulite-Type Phosphatic Oxyhydroxide Mn5[(PO4)2(PO3(OH))2](HOH)4" J. Chem. Phys. 2022, 156 (9), 94502. (DOI 10.1063/5.0083856 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2021 —
— 2020 —
— 2019 —
— 2018 —
— 2017 —
| 22 | T. C. Lourenço, S. Aparicio, G. C. Costa, L. T. Costa: "Local Environment Structure and Dynamics of CO2 in the 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide and Related Ionic Liquids" J. Chem. Phys. 2017, 146 (10), 104502. (DOI 10.1063/1.4977786 ) ⭳ Bib Uses TRAVIS for SDF, CDF. |
| 21 | T. P. Pollard, T. L. Beck: "Structure and Polarization near the Li+ Ion in Ethylene and Propylene Carbonates" J. Chem. Phys. 2017, 147 (16), 161710. (DOI 10.1063/1.4992788 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF. |
— 2016 —
— 2015 —
| 11 | 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. |
| 10 | L. Tanzi, F. Ramondo, R. Caminiti, M. Campetella, A. D. Luca, L. Gontrani: "Structural Studies on Choline-Carboxylate Bio-Ionic Liquids by X-Ray Scattering and Molecular Dynamics" J. Chem. Phys. 2015, 143 (11), 114506. (DOI 10.1063/1.4931031 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2014 —
— 2013 —
| 4 | 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. |
| 3 | H. Weber, O. Hollóczki, A. S. Pensado, B. Kirchner: "Side Chain Fluorination and Anion Effect on the Structure of 1-Butyl-3-methylimidazolium Ionic Liquids" J. Chem. Phys. 2013, 139 (8), 84502. (DOI 10.1063/1.4818540 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF. |
| 2 | 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. |
— 2012 —
| 1 | M. H. Ghatee, A. R. Zolghadr, F. Moosavi, Y. Ansari: "Studies of Structural, Dynamical, and Interfacial Properties of 1-Alkyl-3-methylimidazolium Iodide Ionic Liquids by Molecular Dynamics Simulation" J. Chem. Phys. 2012, 136 (12), 124706. (DOI 10.1063/1.3696004 ) ⭳ Bib Uses TRAVIS for SDF. |
— Author List —
Only showing results in journal “J. Chem. Phys.”. Show all citations.
Go to Article List, go to Journal List.
274 different authors contributed to the 63 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Adamová, G. |
| 2 | (show) | Alizadeh, V. |
| 1 | (show) | Alomari, N. |
| 1 | (show) | Ambrosetti, M. |
| 1 | (show) | Andermatt, S. |
| 1 | (show) | Ando, R. A. |
| 1 | (show) | Ansari, Y. |
| 2 | (show) | Aparicio, S. |
| 1 | (show) | Apostolidou, C. |
| 1 | (show) | Appel, M. |
| 1 | (show) | Appetecchi, G. B. |
| 1 | (show) | Atilhan, M. |
| 1 | (show) | Bagchi, S. |
| 1 | (show) | Bahrami, M. |
| 1 | (show) | Baker, G. A. |
| 1 | (show) | Balasubramani, S. G. |
| 1 | (show) | Baldelli, S. |
| 1 | (show) | Bani-Hashemian, M. H. |
| 1 | (show) | Beck, T. L. |
| 1 | (show) | Belleflamme, F. |
| 1 | (show) | Ben, M.Del |
| 1 | (show) | Bencivenni, L. |
| 2 | (show) | Bernardino, K. |
| 2 | (show) | Berthin, R. |
| 1 | (show) | Bethune, I. |
| 1 | (show) | Beyer, M. K. |
| 6 | (show) | Bodo, E. |
| 1 | (show) | Borštnik, U. |
| 1 | (show) | Bovi, D. |
| 1 | (show) | Bratko, D. |
| 4 | (show) | Brehm, M. |
| 1 | (show) | Bussy, A. |
| 5 | (show) | Caminiti, R. |
| 6 | (show) | Campetella, M. |
| 1 | (show) | Capitani, F. |
| 1 | (show) | Cappelli, C. |
| 1 | (show) | Cardoso, P. F. |
| 6 | (show) | Castner, E. W. |
| 1 | (show) | Ceccacci, F. |
| 1 | (show) | Chater, P. |
| 2 | (show) | Chattaraj, K. G. |
| 1 | (show) | Chatterjee, S. |
| 1 | (show) | Chowdhury, T. |
| 1 | (show) | Chulkov, S. |
| 1 | (show) | Chen, G. P. |
| 1 | (show) | Chiavarino, B. |
| 1 | (show) | Clerck, K. D. |
| 1 | (show) | Coriani, S. |
| 1 | (show) | Corinti, D. |
| 1 | (show) | Costa, G. C. |
| 2 | (show) | Costa, L. T. |
| 1 | (show) | Crespo, Y. |
| 1 | (show) | Crestoni, M. E. |
| 1 | (show) | Deyne, A. V. Y.-D. |
| 1 | (show) | Dhungana, K. B. |
| 1 | (show) | Diedenhofen, M. |
| 1 | (show) | D’Apuzzo, F. |
| 1 | (show) | Endo, T. |
| 1 | (show) | Esser, L. |
| 1 | (show) | Fan, M. |
| 2 | (show) | Faria, L. F. O. |
| 1 | (show) | Fornarini, S. |
| 1 | (show) | Frank, E. S. |
| 1 | (show) | Frank, M. S. |
| 1 | (show) | Franzke, Y. J. |
| 1 | (show) | Furche, F. |
| 1 | (show) | Gaudin, T. |
| 1 | (show) | Glöß, A. |
| 1 | (show) | Goloviznina, K. |
| 1 | (show) | Golze, D. |
| 3 | (show) | Gomes, M. C. |
| 8 | (show) | Gontrani, L. |
| 1 | (show) | Grassian, V. H. |
| 1 | (show) | Grimme, S. |
| 1 | (show) | Grotjahn, R. |
| 1 | (show) | Gu, Y. |
| 1 | (show) | Guidon, M. |
| 1 | (show) | Guidoni, L. |
| 1 | (show) | Hall, G. |
| 1 | (show) | Hammond, O. S. |
| 1 | (show) | Hansen, A. |
| 1 | (show) | Harding, M. E. |
| 1 | (show) | Harries, D. |
| 1 | (show) | Hartl, A. |
| 1 | (show) | Hassanali, A. |
| 1 | (show) | Hättig, C. |
| 4 | (show) | Hollóczki, O. |
| 1 | (show) | Holmberg, N. |
| 1 | (show) | Holzer, C. |
| 1 | (show) | Hsu, T.-Y. |
| 1 | (show) | Hu, L. |
| 1 | (show) | Huang, L. |
| 1 | (show) | Huniar, U. |
| 2 | (show) | Hutter, J. |
| 2 | (show) | Iannuzzi, M. |
| 1 | (show) | Fernandez, E. D. |
| 1 | (show) | Fernandez, J. S. L. C. |
| 1 | (show) | Firaha, D. S. |
| 1 | (show) | Ghaed-Sharaf, T. |
| 2 | (show) | Ghatee, M. H. |
| 1 | (show) | Ghysels, A. |
| 1 | (show) | Giles, C. |
| 1 | (show) | Giovannini, T. |
| 1 | (show) | Hellweg, A. |
| 1 | (show) | Helmich-Paris, B. |
| 1 | (show) | Hemelsoet, K. |
| 2 | (show) | Gehrke, S. |
| 1 | (show) | Hehn, A. |
| 1 | (show) | Heid, E. |
| 1 | (show) | Heitz, M. P. |
| 1 | (show) | Jafta, C. J. |
| 1 | (show) | Jakobovits, A. S. |
| 1 | (show) | Jeanmairet, G. |
| 1 | (show) | Jiang, Y. |
| 1 | (show) | Jurányi, F. |
| 1 | (show) | Kaupp, M. |
| 1 | (show) | Kelemen, Z. |
| 1 | (show) | Khah, A. M. |
| 2 | (show) | Khaliullin, R. Z. |
| 1 | (show) | Khani, S. K. |
| 1 | (show) | Khorrami, F. |
| 7 | (show) | Kirchner, B. |
| 1 | (show) | Korth, M. |
| 1 | (show) | Kowsari, M. H. |
| 2 | (show) | Krack, M. |
| 1 | (show) | Kühne, T. D. |
| 1 | (show) | Kuroda, K. |
| 1 | (show) | Laino, T. |
| 2 | (show) | Lall-Ramnarine, S. I. |
| 1 | (show) | Lass, M. |
| 1 | (show) | Lazzaro, A. |
| 1 | (show) | Leonelli, F. |
| 1 | (show) | Lepre, L. F. |
| 1 | (show) | Ley, R. T. |
| 1 | (show) | Liang, M. |
| 1 | (show) | Lima, T. A. |
| 1 | (show) | Lipke, M. |
| 1 | (show) | Lisio, V. D. |
| 2 | (show) | Lo Celso, F. |
| 1 | (show) | Lopes, J. N. C. |
| 2 | (show) | Lourenço, T. C. |
| 2 | (show) | Luber, S. |
| 1 | (show) | Luca, A. D. |
| 1 | (show) | Lunkenheimer, P. |
| 1 | (show) | Lupi, S. |
| 1 | (show) | Luzar, A. |
| 1 | (show) | Ma, J. |
| 1 | (show) | Maccelli, A. |
| 1 | (show) | Mack, F. |
| 1 | (show) | Maitre, P. |
| 2 | (show) | Maginn, E. J. |
| 1 | (show) | Malberg, F. |
| 2 | (show) | Mangialardo, S. |
| 2 | (show) | Margulis, C. J. |
| 1 | (show) | Mariani, A. |
| 1 | (show) | Marincola, F. C. |
| 1 | (show) | Martinelli, A. |
| 1 | (show) | Martino, A. |
| 1 | (show) | Mele, A. |
| 1 | (show) | Meng, W. |
| 1 | (show) | Meyer, T. D. |
| 1 | (show) | Montagna, M. |
| 1 | (show) | Moosavi, F. |
| 1 | (show) | Moosavi, M. |
| 2 | (show) | Müller, T. |
| 1 | (show) | Mundy, C. J. |
| 1 | (show) | Münst, M. G. |
| 1 | (show) | Nakai, H. |
| 1 | (show) | Nguyen, B. D. |
| 1 | (show) | Nishimura, Y. |
| 1 | (show) | Nyulászi, L. |
| 1 | (show) | Oncák, M. |
| 1 | (show) | Pabst, H. |
| 2 | (show) | Pádua, A. A. H. |
| 1 | (show) | Page, A. J. |
| 1 | (show) | Paluch, A. S. |
| 1 | (show) | Papacostas, K. A. |
| 1 | (show) | Park, S.-H. |
| 1 | (show) | Parker, S. M. |
| 1 | (show) | Paschoal, V. H. |
| 1 | (show) | Pasinszki, T. |
| 2 | (show) | Paul, S. |
| 1 | (show) | Paulmann, C. |
| 1 | (show) | Pauwels, E. |
| 1 | (show) | Peñalber-Johnstone, C. |
| 1 | (show) | Pensado, A. S. |
| 2 | (show) | Perlt, E. |
| 1 | (show) | Pietro, M. E. D. |
| 1 | (show) | Plechkova, N. V. |
| 1 | (show) | Plessl, C. |
| 1 | (show) | Pollard, T. P. |
| 2 | (show) | Postorino, P. |
| 1 | (show) | Puglisi, A. |
| 1 | (show) | Ramdihal, J. D. |
| 1 | (show) | Ramondo, F. |
| 1 | (show) | Rappoport, D. |
| 1 | (show) | Ray, P. |
| 1 | (show) | Riahi, S. |
| 4 | (show) | Ribeiro, M. C. C. |
| 1 | (show) | Riso, R. R. |
| 1 | (show) | Reeves, K. |
| 1 | (show) | Reeves, K. G. |
| 1 | (show) | Reiter, K. |
| 1 | (show) | Rothschild, D. |
| 1 | (show) | Roy, S. |
| 1 | (show) | Rozas, S. |
| 1 | (show) | Rückert, M. |
| 2 | (show) | Russina, O. |
| 1 | (show) | Rybkin, V. V. |
| 1 | (show) | Sadun, C. |
| 2 | (show) | Salanne, M. |
| 1 | (show) | Santis, S. D. |
| 1 | (show) | Schade, R. |
| 1 | (show) | Schmitz, G. |
| 1 | (show) | Schröder, C. |
| 1 | (show) | Schulz, A. |
| 1 | (show) | Schütt, O. |
| 1 | (show) | Schenter, G. K. |
| 1 | (show) | Scheiber, H. |
| 1 | (show) | Schiffmann, F. |
| 1 | (show) | Scuderi, D. |
| 1 | (show) | Sebastiani, D. |
| 1 | (show) | Seddon, K. R. |
| 2 | (show) | Serva, A. |
| 1 | (show) | Shafiei, M. |
| 1 | (show) | Shumilin, I. |
| 1 | (show) | Simon, G. |
| 1 | (show) | Siqueira, L. J. A. |
| 1 | (show) | Seewald, P. |
| 1 | (show) | Sferrazza, A. |
| 1 | (show) | Sheptyakov, D. |
| 1 | (show) | Shi, Y. |
| 1 | (show) | Shirota, H. |
| 1 | (show) | Sierka, M. |
| 1 | (show) | Smith, C. J. |
| 1 | (show) | Speybroeck, V. V. |
| 1 | (show) | Stefanovic, R. |
| 1 | (show) | Stein, F. |
| 1 | (show) | Strachan, A. |
| 1 | (show) | Sumner, R. A. |
| 1 | (show) | Tabacchi, G. |
| 1 | (show) | Taillefumier, M. |
| 2 | (show) | Takahashi, K. |
| 1 | (show) | Tanzi, L. |
| 1 | (show) | Tapavicza, E. |
| 1 | (show) | Tew, D. P. |
| 3 | (show) | Thomas, M. |
| 1 | (show) | Tobias, D. J. |
| 1 | (show) | Torkzadeh, M. |
| 2 | (show) | Triolo, A. |
| 1 | (show) | van der Linde, C. |
| 1 | (show) | van Wüllen, C. |
| 1 | (show) | VandeVondele, J. |
| 1 | (show) | Vishnu, K. G. |
| 1 | (show) | von Domaros, M. |
| 1 | (show) | Voora, V. K. |
| 1 | (show) | Wagle, D. V. |
| 1 | (show) | Wang, L. |
| 1 | (show) | Waroquier, M. |
| 1 | (show) | Watkins, M. |
| 1 | (show) | Webber, G. B. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Weber, V. |
| 1 | (show) | Wilhelm, J. |
| 1 | (show) | Wishart, J. F. |
| 1 | (show) | Weigend, F. |
| 1 | (show) | Wodyński, A. |
| 6 | (show) | Wu, B. |
| 1 | (show) | Yamashita, Y. |
| 1 | (show) | Yu, J. M. |
| 2 | (show) | Zhang, Y. |
| 1 | (show) | Zhao, M. |
| 1 | (show) | Zhu, Q. |
| 1 | (show) | Zolghadr, A. R. |
— Journal List —
Only showing results in journal “J. Chem. Phys.”. Show all citations.
Go to Article List, go to Author List.
The 63 articles shown above were published in 1 different journals.
| Citations | Journal Name | |
|---|---|---|
| 63 | (show) | J. Chem. Phys. |
