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 work with “Power Spectra / Vibrational Density of States” from TRAVIS. Show all citations.
Go to Author List, go to Journal List.
Show only articles where TRAVIS was used to compute...
... any result (634)
... RDFs (g(r), Radial Distribution Functions) (263)
... Number Integrals / Coordination Numbers (72)
... SDFs (Spatial Distribution Functions) (313)
... CDFs (Combined Distribution Functions) (169)
... 3D CDFs (3)
... Structure Factors / van Howe Correlations (43)
... Density Profiles (19)
... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (67)
... MSDs (Mean Square Displacements), Diffusion Coefficients (49)
... Vector Reorientation Dynamics / Rotational Relaxation Times (11)
... Voronoi Statistics / Surface Coverage / Visualization (18)
... Voronoi-based Domain Analysis (29)
... Power Spectra / Vibrational Density of States (58)
... Vibrational Spectra (IR, Raman, VCD, ROA) (66)
... Bulk Phase Normal Modes (7)
... Order Parameters (3)
... Sankey Diagrams / Hydrogen Bond Topology (5)
... Connection Matrix (3)
58 citations match the query. Show continuous list view.
— 2022 —
| 58 | F. Philippi, K. Goloviznina, Z. Gong, S. Gehrke, B. Kirchner, A. A. H. Pádua, P. A. Hunt: "Charge Transfer and Polarisability in Ionic Liquids: A Case Study" Phys. Chem. Chem. Phys. 2022, 24 (5), 3144–3162. (DOI 10.1039/D1CP04592J ) ⭳ Bib Uses TRAVIS for RDF, SFac, MSD, Power . |
| 57 | H. Fan, E. S. Frank, P. S. J. Lakey, M. Shiraiwa, D. J. Tobias, V. H. Grassian: "Heterogeneous Interactions between Carvone and Hydroxylated SiO2" J. Phys. Chem. C 2022, accepted. (DOI 10.1021/acs.jpcc.2c00815 ) ⭳ Bib Uses TRAVIS for Power . |
— 2021 —
— 2020 —
— 2019 —
— 2018 —
— 2017 —
— 2016 —
— 2015 —
| 10 | D. Czurlok, M. von Domaros, M. Thomas, J. Gleim, J. Lindner, B. Kirchner, P. Vöhringer: "Femtosecond 2DIR Spectroscopy of the Nitrile Stretching Vibration of Thiocyanate Anions in Liquid-to-Supercritical Heavy Water. Spectral Diffusion and Libration-Induced Hydrogen-Bond Dynamics" Phys. Chem. Chem. Phys. 2015, 17 (44), 29776–29785. (DOI 10.1039/C5CP05237H ) ⭳ Bib Uses TRAVIS for Aggr, Power . |
| 9 | D. S. Firaha, M. Kavalchuk, B. Kirchner: "SO2 Solvation in the 1-Ethyl-3-methylimidazolium Thiocyanate Ionic Liquid by Incorporation into the Extended Cation–Anion Network" J. Solution Chem. 2015, 44 (3-4), 838–849. (DOI 10.1007/s10953-015-0321-5 ) ⭳ Bib Uses TRAVIS for RDF, Voro, Power . |
— 2014 —
| 8 | E. Perlt, M. Brüssel, B. Kirchner: "Floating Orbital Molecular Dynamics Simulations" Phys. Chem. Chem. Phys. 2014, 16 (15), 6997. (DOI 10.1039/c3cp54797c ) ⭳ Bib Uses TRAVIS for Power . |
| 7 | M. Thomas, M. Brehm, O. Hollóczki, Z. Kelemen, L. Nyulászi, T. Pasinszki, B. Kirchner: "Simulating the Vibrational Spectra of Ionic Liquid Systems: 1-Ethyl-3-methylimidazolium Acetate and its Mixtures" J. Chem. Phys. 2014, 141 (2), 24510. (DOI 10.1063/1.4887082 ) ⭳ Bib Uses TRAVIS for Power , Spec, NC. |
— 2013 —
| 6 | F. Malberg, M. Brehm, O. Hollóczki, A. S. Pensado, B. Kirchner: "Understanding the Evaporation of Ionic Liquids Using the Example of 1-Ethyl-3-methylimidazolium Ethylsulfate" Phys. Chem. Chem. Phys. 2013, 15 (42), 18424. (DOI 10.1039/c3cp52966e ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, Aggr, Power . |
| 5 | M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner: "Computing Vibrational Spectra from ab initio Molecular Dynamics" Phys. Chem. Chem. Phys. 2013, 15 (18), 6608. (DOI 10.1039/c3cp44302g ) ⭳ Bib Uses TRAVIS for Power , Spec. |
— 2012 —
— Author List —
Only showing work with “Power Spectra / Vibrational Density of States” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
185 different authors contributed to the 58 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 15 | (show) | Kirchner, B. |
| 9 | (show) | Brehm, M. |
| 4 | (show) | Malberg, F. |
| 4 | (show) | Pensado, A. S. |
| 4 | (show) | Thomas, M. |
| 3 | (show) | Etinski, M. |
| 3 | (show) | Frank, E. S. |
| 3 | (show) | Grassian, V. H. |
| 3 | (show) | Sebastiani, D. |
| 3 | (show) | Tobias, D. J. |
| 3 | (show) | Zakiryanov, D. O. |
| 2 | (show) | Brüssel, M. |
| 2 | (show) | Drużbicki, K. |
| 2 | (show) | Elfgen, R. |
| 2 | (show) | Esser, L. |
| 2 | (show) | Fan, H. |
| 2 | (show) | Frank, I. |
| 2 | (show) | Gehrke, S. |
| 2 | (show) | Hollóczki, O. |
| 2 | (show) | Imhof, P. |
| 2 | (show) | Kraus, P. |
| 2 | (show) | Macchieraldo, R. |
| 2 | (show) | Milovanović, B. |
| 2 | (show) | Petković, M. |
| 2 | (show) | Pylaeva, S. A. |
| 2 | (show) | Riahi, S. |
| 2 | (show) | Ruggiero, M. T. |
| 2 | (show) | Smarsly, B. M. |
| 2 | (show) | Tkachev, N. K. |
| 2 | (show) | Tolstoy, P. M. |
| 2 | (show) | Vöhringer, P. |
| 2 | (show) | Yadav, V. K. |
| 2 | (show) | Zakiryanova, I. D. |
| 2 | (show) | Zeitler, J. A. |
| 1 | (show) | Allolio, C. |
| 1 | (show) | Alznauer, H. T. |
| 1 | (show) | Anderson, B. B. |
| 1 | (show) | Armstrong, J. |
| 1 | (show) | Artacho, E. |
| 1 | (show) | Bauer, T. |
| 1 | (show) | Ben-Amotz, D. |
| 1 | (show) | Benin, B. M. |
| 1 | (show) | Berthin, R. |
| 1 | (show) | Biswas, M. M. |
| 1 | (show) | Blatnik, M. |
| 1 | (show) | Blaumeiser, D. |
| 1 | (show) | Boczar, M. |
| 1 | (show) | Boda, Ł. |
| 1 | (show) | Bodo, E. |
| 1 | (show) | Boehme, S. C. |
| 1 | (show) | Bond, A. D. |
| 1 | (show) | Bonivardi, A. |
| 1 | (show) | Borah, S. |
| 1 | (show) | Brela, M. Z. |
| 1 | (show) | Briels, W. J. |
| 1 | (show) | Broclawik, E. |
| 1 | (show) | Bychkov, M. E. |
| 1 | (show) | Chiavarino, B. |
| 1 | (show) | Connolly, J. A. D. |
| 1 | (show) | Contreras, R. |
| 1 | (show) | Crestoni, M. E. |
| 1 | (show) | Czurlok, D. |
| 1 | (show) | Datka, J. |
| 1 | (show) | de Oliveira, D. M. |
| 1 | (show) | Delle Site, L. |
| 1 | (show) | Denisov, G. S. |
| 1 | (show) | Elgabarty, H. |
| 1 | (show) | Ensing, B. |
| 1 | (show) | Fernandez-Alonso, F. |
| 1 | (show) | Ferraro, F. |
| 1 | (show) | Fligg, R. |
| 1 | (show) | Fornarini, S. |
| 1 | (show) | Fortunelli, A. |
| 1 | (show) | Gleim, J. |
| 1 | (show) | Gług, M. |
| 1 | (show) | Goloviznina, K. |
| 1 | (show) | Gong, Z. |
| 1 | (show) | Görling, A. |
| 1 | (show) | Green, E. C. R. |
| 1 | (show) | Grotevent, M. J. |
| 1 | (show) | Hassan, I. |
| 1 | (show) | Heid, E. |
| 1 | (show) | Hempstead, R. |
| 1 | (show) | Heo, T. W. |
| 1 | (show) | Hermansson, K. |
| 1 | (show) | Huang, L. |
| 1 | (show) | Hunt, P. A. |
| 1 | (show) | Iannuzzi, M. |
| 1 | (show) | Ivanov, S. A. |
| 1 | (show) | Jonayat, A. S. M. |
| 1 | (show) | Firaha, D. S. |
| 1 | (show) | Ghosh, D. |
| 1 | (show) | Kang, S. |
| 1 | (show) | Karlsson, M. |
| 1 | (show) | Kavalchuk, M. |
| 1 | (show) | Kelemen, Z. |
| 1 | (show) | Kiefer, J. |
| 1 | (show) | Kirkegaard, M. C. |
| 1 | (show) | Klein, M. L. |
| 1 | (show) | Koeppe, B. |
| 1 | (show) | Kojić, M. |
| 1 | (show) | Kovalenko, M. V. |
| 1 | (show) | Kumar, P. P. |
| 1 | (show) | Lakey, P. S. J. |
| 1 | (show) | Lavén, R. |
| 1 | (show) | Lawson Daku, L. M. |
| 1 | (show) | Li, S. |
| 1 | (show) | Libuda, J. |
| 1 | (show) | Limbach, H.-H. |
| 1 | (show) | Lindner, J. |
| 1 | (show) | Lodeiro, L. |
| 1 | (show) | Lotfi, R. |
| 1 | (show) | Luber, S. |
| 1 | (show) | Łuczyńska, K. |
| 1 | (show) | Maisel, S. |
| 1 | (show) | Malavasi, L. |
| 1 | (show) | Miskowiec, A. |
| 1 | (show) | Mitev, P. D. |
| 1 | (show) | Mittleman, D. M. |
| 1 | (show) | Mohammadi, M. |
| 1 | (show) | Morad, V. |
| 1 | (show) | Nakajima, T. |
| 1 | (show) | Negreiros, F. R. |
| 1 | (show) | Netzer, F. P. |
| 1 | (show) | Nibbering, E. T. J. |
| 1 | (show) | Niedziela, J. L. |
| 1 | (show) | Noack, K. |
| 1 | (show) | Nyulászi, L. |
| 1 | (show) | Obermüller, T. |
| 1 | (show) | Ohira, A. |
| 1 | (show) | Ormazábal-Toledo, R. |
| 1 | (show) | Ozaki, Y. |
| 1 | (show) | Pádua, A. A. H. |
| 1 | (show) | Pałka, N. |
| 1 | (show) | Pasinszki, T. |
| 1 | (show) | Pauletti, M. |
| 1 | (show) | Penna, T. C. |
| 1 | (show) | Perlt, E. |
| 1 | (show) | Petrushevich, Y. V. |
| 1 | (show) | Philippi, F. |
| 1 | (show) | Ramzan, M. |
| 1 | (show) | Reeves, K. G. |
| 1 | (show) | Rejmak, P. |
| 1 | (show) | Ribeiro, M. C. C. |
| 1 | (show) | Robalo, J. R. |
| 1 | (show) | Rozas-Castro, N. |
| 1 | (show) | Runka, T. |
| 1 | (show) | Rybkin, V. V. |
| 1 | (show) | Salanne, M. |
| 1 | (show) | Schröder, C. |
| 1 | (show) | Scuderi, D. |
| 1 | (show) | Seitsonen, A. P. |
| 1 | (show) | Serva, A. |
| 1 | (show) | Shorubalko, I. |
| 1 | (show) | Shrestha, M. |
| 1 | (show) | Shynkarenko, Y. |
| 1 | (show) | Sieland, M. |
| 1 | (show) | Shields, A. E. |
| 1 | (show) | Shiraiwa, M. |
| 1 | (show) | Stanković, I. M. |
| 1 | (show) | Stanojević, A. |
| 1 | (show) | Stark, A. |
| 1 | (show) | Starostin, A. N. |
| 1 | (show) | Surnev, S. |
| 1 | (show) | Taccardi, N. |
| 1 | (show) | Thar, J. |
| 1 | (show) | Tretiak, S. |
| 1 | (show) | Turek, A. M. |
| 1 | (show) | van Duin, A. C. T. |
| 1 | (show) | Vecchietti, J. |
| 1 | (show) | Verde, A. V. |
| 1 | (show) | Voepel, P. |
| 1 | (show) | von Domaros, M. |
| 1 | (show) | Wan, L. F. |
| 1 | (show) | Wasserscheid, P. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Weiß, M. |
| 1 | (show) | Wendler, K. |
| 1 | (show) | Węsicki, J. |
| 1 | (show) | Wójcik, M. J. |
| 1 | (show) | Wood, B. C. |
| 1 | (show) | Yakunin, S. |
| 1 | (show) | Yamaguchi, M. |
| 1 | (show) | Zahn, S. |
| 1 | (show) | Zhang, W. |
— Journal List —
Only showing work with “Power Spectra / Vibrational Density of States” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 58 articles shown above were published in 26 different journals.
| Citations | Journal Name | |
|---|---|---|
| 15 | (show) | Phys. Chem. Chem. Phys. |
| 5 | (show) | J. Chem. Phys. |
| 3 | (show) | Comput. Theor. Chem. |
| 3 | (show) | J. Chem. Theory Comput. |
| 3 | (show) | J. Phys. Chem. B |
| 3 | (show) | J. Phys. Chem. C |
| 3 | (show) | Molecules |
| 2 | (show) | Chem. Eur. J |
| 2 | (show) | J. Mol. Liq. |
| 2 | (show) | J. Phys. Chem. A |
| 2 | (show) | J. Phys. Chem. Lett. |
| 1 | (show) | ACS Catal. |
| 1 | (show) | ACS Omega |
| 1 | (show) | Adv. Mater. |
| 1 | (show) | Chem. Mater. |
| 1 | (show) | ChemPhysChem |
| 1 | (show) | ChemistrySelect |
| 1 | (show) | Earth Planet. Sci. Lett. |
| 1 | (show) | Ind. Eng. Chem. Res. |
| 1 | (show) | Inorg. Chem. |
| 1 | (show) | Int. J. Quantum Chem. |
| 1 | (show) | J. Exp. Theor. Phys. |
| 1 | (show) | J. Infrared Millim. Terahertz Waves |
| 1 | (show) | J. Solution Chem. |
| 1 | (show) | Phys. Rev. Lett. |
| 1 | (show) | Vib. Spectrosc. |
