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 work with “Density Profiles” from TRAVIS. 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)
30 citations match the query. Show continuous list view.
— 2023 —
— 2022 —
— 2021 —
| 10 | N. Zec, G. Mangiapia, A. C. Hendry, R. Barker, A. Koutsioubas, H. Frielinghaus, M. Campana, J. L. Ortega-Roldan, S. Busch, J.-F. Moulin: "Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments" Membranes 2021, 11 (7), 507. (DOI 10.3390/membranes11070507 ) ⭳ Bib Uses TRAVIS for DProf . |
— 2020 —
— 2018 —
| 4 | C. J. Smith, S. Gehrke, O. Hollóczki, D. V. Wagle, M. P. Heitz, G. A. Baker: "NMR Relaxometric Probing of Ionic Liquid Dynamics and Diffusion under Mesoscopic Confinement within Bacterial Cellulose Ionogels" J. Chem. Phys. 2018, 148 (19), 193845. (DOI 10.1063/1.5016337 ) ⭳ Bib Uses TRAVIS for RDF, DProf , Aggr, MSD, RDyn. |
— 2017 —
| 3 | X.-Y. Guo, C. Peschel, T. Watermann, G. Rudorff, D. Sebastiani: "Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer" Polymers 2017, 9 (12), 488. (DOI 10.3390/polym9100488 ) ⭳ Bib Uses TRAVIS for RDF, DProf , MSD. |
| 2 | M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani: "Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers" J. Phys. Chem. B 2017, 121 (35), 8311–8321. (DOI 10.1021/acs.jpcb.7b06520 ) ⭳ Bib Uses TRAVIS for RDF, DProf , MSD, Order. |
— 2015 —
| 1 | H. Weber, M. Salanne, B. Kirchner: "Toward an Accurate Modeling of Ionic Liquid–TiO2 Interfaces" J. Phys. Chem. C 2015, 119 (45), 25260–25267. (DOI 10.1021/acs.jpcc.5b08538 ) ⭳ Bib Uses TRAVIS for CDF, DProf . |
— Author List —
Only showing work with “Density Profiles” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
124 different authors contributed to the 30 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Aguilar, N. |
| 4 | (show) | Aparicio, S. |
| 2 | (show) | Atilhan, M. |
| 1 | (show) | Ávila, J. |
| 1 | (show) | Baker, G. A. |
| 1 | (show) | Barker, R. |
| 1 | (show) | Barros, R. |
| 2 | (show) | Bastos, L. C. |
| 1 | (show) | Benítez, J. J. |
| 1 | (show) | Bhargava, B. L. |
| 1 | (show) | Bicalho, L. |
| 2 | (show) | Bol, A. |
| 1 | (show) | Brehm, M. |
| 1 | (show) | Bueno, O. V. M. |
| 1 | (show) | Busch, S. |
| 1 | (show) | Campana, M. |
| 1 | (show) | Chen, D. |
| 1 | (show) | Cheng, H. |
| 1 | (show) | Clark, R. |
| 2 | (show) | Correia, J. C. G. |
| 1 | (show) | Crevel, D. |
| 1 | (show) | Daza, M. C. |
| 1 | (show) | de Leeuw, N. H. |
| 1 | (show) | Diao, K. |
| 1 | (show) | Doerr, M. |
| 2 | (show) | Dokoohaki, M. H. |
| 1 | (show) | Dong, Y. |
| 1 | (show) | Dorchies, F. |
| 1 | (show) | Duignan, T. T. |
| 1 | (show) | Duque-Redondo, E. |
| 1 | (show) | Fang, W. |
| 1 | (show) | Foucaud, Y. |
| 1 | (show) | Freitas, J. D. |
| 1 | (show) | Frielinghaus, H. |
| 1 | (show) | Garaga, M. N. |
| 1 | (show) | Gomes, M. C. |
| 1 | (show) | Grimaud, A. |
| 1 | (show) | Greenbaum, S. |
| 1 | (show) | Gui, C. |
| 1 | (show) | Guo, X.-Y. |
| 1 | (show) | Gurkan, B. |
| 1 | (show) | Hollóczki, O. |
| 1 | (show) | Hosseini, S. M. |
| 2 | (show) | Filippov, L. O. |
| 1 | (show) | Filippova, I. V. |
| 1 | (show) | Ge, Z. |
| 1 | (show) | Ghaed-Sharaf, T. |
| 1 | (show) | Ghahremani, R. |
| 2 | (show) | Ghatee, M. H. |
| 1 | (show) | Hendry, A. C. |
| 1 | (show) | Gehrke, S. |
| 1 | (show) | Heitz, M. P. |
| 1 | (show) | Khorrami, F. |
| 1 | (show) | Kirchner, B. |
| 2 | (show) | Klein, A. |
| 1 | (show) | Kostopoulos, N. |
| 1 | (show) | Koutsioubas, A. |
| 1 | (show) | Kowsari, M. H. |
| 1 | (show) | Lenk, T. |
| 1 | (show) | Li, Z. |
| 1 | (show) | Lima, N. |
| 1 | (show) | Liu, B. |
| 1 | (show) | Liu, W. |
| 1 | (show) | Lee, Y.-Y. |
| 1 | (show) | Lei, Z. |
| 1 | (show) | Lv, G. |
| 1 | (show) | Maginn, E. J. |
| 1 | (show) | Mangiapia, G. |
| 1 | (show) | Manzano, H. |
| 1 | (show) | Maritsa, L. |
| 1 | (show) | Martel, S. |
| 1 | (show) | Masoero, E. |
| 1 | (show) | Mbaiwa, F. |
| 1 | (show) | Moghaddari, M. |
| 1 | (show) | Moosavi, M. |
| 1 | (show) | Moulin, J.-F. |
| 1 | (show) | Nguyen, A. V. |
| 1 | (show) | Nguyen, C. V. |
| 1 | (show) | Nikpour, A. |
| 1 | (show) | Nyepetsi, M. |
| 1 | (show) | Omidvar, A. |
| 1 | (show) | Ortega-Roldan, J. L. |
| 1 | (show) | Oyetunji, O. A. |
| 1 | (show) | Padua, A. A. H. |
| 1 | (show) | Pan, Z. |
| 1 | (show) | Panda, D. K. |
| 1 | (show) | Peng, M. |
| 1 | (show) | Penley, D. |
| 2 | (show) | Pereira, A. M. |
| 1 | (show) | Peschel, C. |
| 2 | (show) | Piçarra, A. |
| 1 | (show) | Qi, Z. |
| 1 | (show) | Qu, Y. |
| 1 | (show) | Raabe, G. |
| 1 | (show) | Rabet, S. |
| 1 | (show) | Rivero, N. |
| 1 | (show) | Robert, M. |
| 1 | (show) | Rozas, S. |
| 1 | (show) | Rudorff, G. |
| 1 | (show) | Saddiq, G. |
| 2 | (show) | Salanne, M. |
| 1 | (show) | Samanian, M. |
| 1 | (show) | San-Miguel, M. A. |
| 1 | (show) | Schröder, U. |
| 2 | (show) | Sebastiani, D. |
| 1 | (show) | Sel, O. |
| 1 | (show) | Serva, A. |
| 2 | (show) | Silva, K. |
| 2 | (show) | Silva, L. A. |
| 1 | (show) | Smith, C. J. |
| 1 | (show) | Sprick, M. |
| 1 | (show) | Sun, Q. |
| 1 | (show) | Tamayo-Ramos, J. A. |
| 1 | (show) | Torkzadeh, M. |
| 1 | (show) | Wagle, D. V. |
| 1 | (show) | Wang, L. |
| 1 | (show) | Wang, X. |
| 2 | (show) | Watermann, T. |
| 1 | (show) | Weber, H. |
| 1 | (show) | Yousefi, F. |
| 1 | (show) | Zec, N. |
| 1 | (show) | Zhang, G. |
| 1 | (show) | Zhao, P. |
| 2 | (show) | Zolghadr, A. R. |
— Journal List —
Only showing work with “Density Profiles” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 30 articles shown above were published in 22 different journals.
| Citations | Journal Name | |
|---|---|---|
| 4 | (show) | J. Mol. Liq. |
| 3 | (show) | J. Phys. Chem. B |
| 2 | (show) | Energy Fuels |
| 2 | (show) | J. Chem. Phys. |
| 2 | (show) | Phys. Chem. Chem. Phys. |
| 1 | (show) | ACS Omega |
| 1 | (show) | Appl. Surf. Sci. |
| 1 | (show) | Cem. Concr. Res. |
| 1 | (show) | Chem. Eng. Sci. |
| 1 | (show) | Chem. Phys. Lipids |
| 1 | (show) | ChemPhysChem |
| 1 | (show) | Colloids Surf., A |
| 1 | (show) | J. Am. Chem. Soc. |
| 1 | (show) | J. Chem. Eng. Data |
| 1 | (show) | J. Mol. Graph. Model. |
| 1 | (show) | J. Mol. Model. |
| 1 | (show) | J. Phys. Chem. C |
| 1 | (show) | Langmuir |
| 1 | (show) | Membranes |
| 1 | (show) | Miner. Eng. |
| 1 | (show) | New J. Chem. |
| 1 | (show) | Polymers |
