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). |
— Work Citing TRAVIS —
Only showing work with “Number Integrals / Coordination Numbers” from TRAVIS. 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)
56 citations match the query. Show continuous list view.
— 2021 —
— 2020 —
— 2019 —
— 2018 —
— 2017 —
— 2015 —
| 4 | E. Bodo: "Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of their Coordination Shell" J. Phys. Chem. B 2015, 119 (35), 11833–11838. (DOI 10.1021/acs.jpcb.5b06387 ) ⭳ Bib Uses TRAVIS for RDF, NI , SDF. |
— 2013 —
| 3 | 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. |
| 2 | 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. |
— 2012 —
| 1 | M. Brüssel, M. Brehm, A. S. Pensado, F. Malberg, M. Ramzan, A. Stark, B. Kirchner: "On the Ideality of Binary Mixtures of Ionic Liquids" Phys. Chem. Chem. Phys. 2012, 14 (38), 13204. (DOI 10.1039/c2cp41926b ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, 3D CDF, MSD, Power. |
— Author List —
Only showing work with “Number Integrals / Coordination Numbers” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
151 different authors contributed to the 56 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 14 | (show) | Kirchner, B. |
| 5 | (show) | Brehm, M. |
| 4 | (show) | Elfgen, R. |
| 4 | (show) | Gontrani, L. |
| 4 | (show) | Hollóczki, O. |
| 3 | (show) | Alizadeh, V. |
| 3 | (show) | Campetella, M. |
| 3 | (show) | Esser, L. |
| 3 | (show) | Idrissi, A. |
| 3 | (show) | Kalugin, O. N. |
| 3 | (show) | Koverga, V. A. |
| 3 | (show) | Malberg, F. |
| 3 | (show) | Pádua, A. A. H. |
| 3 | (show) | Ray, P. |
| 3 | (show) | Zahn, S. |
| 2 | (show) | Agieienko, V. |
| 2 | (show) | Balducci, A. |
| 2 | (show) | Bencivenni, L. |
| 2 | (show) | Bodo, E. |
| 2 | (show) | Buchner, R. |
| 2 | (show) | Caminiti, R. |
| 2 | (show) | Celso, F. L. |
| 2 | (show) | Cordeiro, M. N. D. S. |
| 2 | (show) | Gadžurić, S. B. |
| 2 | (show) | Gehrke, S. |
| 2 | (show) | Horinek, D. |
| 2 | (show) | Jedlovszky, P. |
| 2 | (show) | Kowsari, M. H. |
| 2 | (show) | Lawson Daku, L. M. |
| 2 | (show) | Macchieraldo, R. |
| 2 | (show) | Marekha, B. A. |
| 2 | (show) | Mariani, A. |
| 2 | (show) | Miannay, F.-A. |
| 2 | (show) | Page, A. J. |
| 2 | (show) | Pensado, A. S. |
| 2 | (show) | Russina, O. |
| 2 | (show) | Sebastiani, D. |
| 2 | (show) | Smarsly, B. M. |
| 2 | (show) | Smortsova, Y. |
| 2 | (show) | Triolo, A. |
| 2 | (show) | Vraneš, M. B. |
| 1 | (show) | Ajduković, J. |
| 1 | (show) | Ambrosetti, M. |
| 1 | (show) | Aparicio, S. |
| 1 | (show) | Armbruster, T. |
| 1 | (show) | Ayatollahi, S. F. |
| 1 | (show) | Bahrami, M. |
| 1 | (show) | Beck, T. L. |
| 1 | (show) | Blasius, J. |
| 1 | (show) | Bol, A. |
| 1 | (show) | Bonomo, M. |
| 1 | (show) | Brüssel, M. |
| 1 | (show) | Cametti, G. |
| 1 | (show) | Capitani, F. |
| 1 | (show) | Cappelli, C. |
| 1 | (show) | Ceccacci, F. |
| 1 | (show) | Celia-Silva, L. G. |
| 1 | (show) | Četojević-Simin, D. D. |
| 1 | (show) | Chen, F. |
| 1 | (show) | Churakov, S. |
| 1 | (show) | Clark, R. |
| 1 | (show) | Daku, L. M. L. |
| 1 | (show) | Daniele, M. |
| 1 | (show) | Dokoohaki, M. H. |
| 1 | (show) | Dudariev, D. S. |
| 1 | (show) | Ebrahimi, S. |
| 1 | (show) | Etinski, M. |
| 1 | (show) | Fasolato, C. |
| 1 | (show) | Ferreira, E. S. C. |
| 1 | (show) | Gärtner, S. |
| 1 | (show) | Geller, D. |
| 1 | (show) | Goloviznina, K. |
| 1 | (show) | Hermann, J. |
| 1 | (show) | Hölzl, C. |
| 1 | (show) | Janković, N. Ž. |
| 1 | (show) | Filipe, E. J. M. |
| 1 | (show) | Firaha, D. S. |
| 1 | (show) | Ghaed-Sharaf, T. |
| 1 | (show) | Ghatee, M. H. |
| 1 | (show) | Giovannini, T. |
| 1 | (show) | Figueiredo, N. M. |
| 1 | (show) | Kapoor, U. |
| 1 | (show) | Keeble, D. S. |
| 1 | (show) | Klein, A. |
| 1 | (show) | Klein, M. L. |
| 1 | (show) | Kojić, M. |
| 1 | (show) | Kolesnik, Y. V. |
| 1 | (show) | Korotkevich, A. |
| 1 | (show) | Leonelli, F. |
| 1 | (show) | Li, H. |
| 1 | (show) | Li, Z. |
| 1 | (show) | Lisio, V. D. |
| 1 | (show) | Liu, Z. |
| 1 | (show) | Logacheva, K. O. |
| 1 | (show) | Lucas, E. F. |
| 1 | (show) | Lupi, S. |
| 1 | (show) | Luzar, A. |
| 1 | (show) | Macchiagodena, M. |
| 1 | (show) | Mallik, B. S. |
| 1 | (show) | Marincola, F. C. |
| 1 | (show) | Maritsa, L. |
| 1 | (show) | Martins, L. F. G. |
| 1 | (show) | Mendez-Morales, T. |
| 1 | (show) | Milovanović, B. |
| 1 | (show) | Mohebbi, A. |
| 1 | (show) | Moosavi, M. |
| 1 | (show) | Morgado, P. |
| 1 | (show) | Noroozi, J. |
| 1 | (show) | Ostojić, S. M. |
| 1 | (show) | Paluch, A. S. |
| 1 | (show) | Palumbo, O. |
| 1 | (show) | Panaget, T. |
| 1 | (show) | Panić, J. J. |
| 1 | (show) | Paolone, A. |
| 1 | (show) | Papović, S. |
| 1 | (show) | Passerini, S. |
| 1 | (show) | Petković, M. |
| 1 | (show) | Plechkova, N. V. |
| 1 | (show) | Pollard, T. P. |
| 1 | (show) | Postorino, P. |
| 1 | (show) | Pouramini, Z. |
| 1 | (show) | Puglisi, A. |
| 1 | (show) | Pylaeva, S. A. |
| 1 | (show) | Ramzan, M. |
| 1 | (show) | Reddy, T. D. N. |
| 1 | (show) | Riso, R. R. |
| 1 | (show) | Salanne, M. |
| 1 | (show) | Sánchez, P. B. |
| 1 | (show) | Shah, J. K. |
| 1 | (show) | Shayestehpour, O. |
| 1 | (show) | Sieland, M. |
| 1 | (show) | Stark, A. |
| 1 | (show) | Stefanovic, R. |
| 1 | (show) | Takamuku, T. |
| 1 | (show) | Torkzadeh, M. |
| 1 | (show) | Tot, A. S. |
| 1 | (show) | Trequattrini, F. |
| 1 | (show) | Vilela, P. B. |
| 1 | (show) | Voepel, P. |
| 1 | (show) | Vogl, T. |
| 1 | (show) | von Domaros, M. |
| 1 | (show) | Voroshylova, I. V. |
| 1 | (show) | Waite, S. L. |
| 1 | (show) | Webber, G. B. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Welton, T. |
| 1 | (show) | Yadav, V. K. |
| 1 | (show) | Yu, G. |
| 1 | (show) | Zec, N. |
| 1 | (show) | Zhang, L. |
| 1 | (show) | Zolghadr, A. R. |
— Journal List —
Only showing work with “Number Integrals / Coordination Numbers” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 56 articles shown above were published in 22 different journals.
| Citations | Journal Name | |
|---|---|---|
| 11 | (show) | J. Phys. Chem. B |
| 10 | (show) | Phys. Chem. Chem. Phys. |
| 9 | (show) | J. Mol. Liq. |
| 6 | (show) | J. Chem. Phys. |
| 2 | (show) | ChemPhysChem |
| 2 | (show) | Ind. Eng. Chem. Res. |
| 1 | (show) | ACS Omega |
| 1 | (show) | ACS Sustainable Chem. Eng. |
| 1 | (show) | Batter. Supercaps |
| 1 | (show) | Chem. Eur. J |
| 1 | (show) | Energy Fuels |
| 1 | (show) | Faraday Discuss. |
| 1 | (show) | Fluid Phase Equilib. |
| 1 | (show) | J. Chem. Theory Comput. |
| 1 | (show) | Mol. Phys. |
| 1 | (show) | Molecules |
| 1 | (show) | New J. Chem. |
| 1 | (show) | Phys. Chem. Miner. |
| 1 | (show) | RSC Adv. |
| 1 | (show) | Sci. Rep. |
| 1 | (show) | Symmetry |
| 1 | (show) | V. N. Karazin Kharkiv National University Bulletin. Chemical Series |
