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 “MSDs (Mean Square Displacements), Diffusion Coefficients” 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)
78 citations match the query. Show continuous list view.
— 2023 —
— 2022 —
— 2021 —
— 2020 —
— 2019 —
| 22 | S. Shokri, O. Naderi, K. Moradi, R. Sadeghi, S. Ebrahimi: "A Combined Molecular Dynamic Simulation and Experimental Study of Thermo-Physical Properties of the New Synthesized Amino Acid-Based Ionic Liquids" J. Mol. Liq. 2019, 277, 290–301. (DOI 10.1016/j.molliq.2018.12.094 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, MSD . |
| 21 | H. Goel, Z. W. Windom, A. A. Jackson, N. Rai: "CO2 Sorption in Triethyl(butyl)phosphonium 2-Cyanopyrrolide Ionic Liquid via First Principles Simulations" J. Mol. Liq. 2019, 292, 111323. (DOI 10.1016/j.molliq.2019.111323 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, MSD , Spec. |
| 20 | R. Macchieraldo, S. Gehrke, N. K. Batchu, B. Kirchner, K. Binnemans: "Tuning Solvent Miscibility: A Fundamental Assessment on the Example of Induced Methanol/n-Dodecane Phase Separation" J. Phys. Chem. B 2019, 123 (20), 4400–4407. (DOI 10.1021/acs.jpcb.9b00839 ) ⭳ Bib Uses TRAVIS for RDF, Aggr, MSD , Domain. |
— 2018 —
— 2017 —
— 2016 —
| 6 | F. Lo Celso, B. Aoun, A. Triolo, O. Russina: "Liquid Structure of Dibutyl Sulfoxide" Phys. Chem. Chem. Phys. 2016, 18 (23), 15980–15987. (DOI 10.1039/C6CP02335E ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, SFac, MSD , RDyn. |
| 5 | D. S. Firaha, M. Thomas, O. Hollóczki, M. Korth, B. Kirchner: "Can Dispersion Corrections Annihilate the Dispersion-Driven Nano-Aggregation of Non-Polar Groups? An ab initio Molecular Dynamics Study of Ionic Liquid Systems" J. Chem. Phys. 2016, 145 (20), 204502. (DOI 10.1063/1.4967861 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, MSD , Domain, Spec. |
| 4 | U. Kapoor, J. K. Shah: "Preferential Ionic Interactions and Microscopic Structural Changes Drive Nonideality in Binary Ionic Liquid Mixtures as Revealed from Molecular Simulations" Ind. Eng. Chem. Res. 2016, 55 (51), 13132–13146. (DOI 10.1021/acs.iecr.6b03314 ) ⭳ Bib Uses TRAVIS for RDF, SDF, Aggr, MSD . |
— 2015 —
| 3 | B. Kirchner, F. Malberg, D. S. Firaha, O. Hollóczki: "Ion Pairing in Ionic Liquids" J. Phys.: Condens. Matter 2015, 27 (46), 463002. (DOI 10.1088/0953-8984/27/46/463002 ) ⭳ Bib Uses TRAVIS for RDF, Aggr, MSD . |
— 2012 —
| 2 | 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. |
| 1 | A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner: "Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate" ChemPhysChem 2012, 13 (7), 1845–1853. (DOI 10.1002/cphc.201100917 ) ⭳ Bib Uses TRAVIS for CDF, Aggr, MSD , Power. |
— Author List —
Only showing work with “MSDs (Mean Square Displacements), Diffusion Coefficients” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
277 different authors contributed to the 78 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 13 | (show) | Kirchner, B. |
| 7 | (show) | Brehm, M. |
| 5 | (show) | Gehrke, S. |
| 5 | (show) | Sebastiani, D. |
| 4 | (show) | Mallik, B. S. |
| 3 | (show) | Balducci, A. |
| 3 | (show) | Duque-Redondo, E. |
| 3 | (show) | Hollóczki, O. |
| 3 | (show) | Lourenço, T. C. |
| 3 | (show) | Macchieraldo, R. |
| 3 | (show) | Manzano, H. |
| 3 | (show) | Moosavi, M. |
| 3 | (show) | Salanne, M. |
| 3 | (show) | Zhang, Y. |
| 2 | (show) | Aparicio, S. |
| 2 | (show) | Atilhan, M. |
| 2 | (show) | Benito, C. |
| 2 | (show) | Biswas, A. |
| 2 | (show) | Brandell, D. |
| 2 | (show) | Dias, L. G. |
| 2 | (show) | Doherty, B. |
| 2 | (show) | Dreßler, C. |
| 2 | (show) | Elfgen, R. |
| 2 | (show) | Greenbaum, S. |
| 2 | (show) | Gurkan, B. |
| 2 | (show) | Firaha, D. S. |
| 2 | (show) | Ghaed-Sharaf, T. |
| 2 | (show) | Ghatee, M. H. |
| 2 | (show) | Li, X. |
| 2 | (show) | Lo Celso, F. |
| 2 | (show) | Maginn, E. J. |
| 2 | (show) | Malberg, F. |
| 2 | (show) | Pensado, A. S. |
| 2 | (show) | Philippi, F. |
| 2 | (show) | Qu, Y. |
| 2 | (show) | Ray, P. |
| 2 | (show) | Russina, O. |
| 2 | (show) | Silva, J. L. F. D. |
| 2 | (show) | Stettner, T. |
| 2 | (show) | Thomas, M. |
| 2 | (show) | Torkzadeh, M. |
| 2 | (show) | Triolo, A. |
| 2 | (show) | Watermann, T. |
| 2 | (show) | Yamada, K. |
| 2 | (show) | Zhou, W. |
| 2 | (show) | Zolghadr, A. R. |
| 1 | (show) | Acevedo, O. |
| 1 | (show) | Ahn, S. J. |
| 1 | (show) | Albuquerque, M. |
| 1 | (show) | Alcalde, R. |
| 1 | (show) | Alizadeh, V. |
| 1 | (show) | Alptekin, H. |
| 1 | (show) | Anchieta, C. G. |
| 1 | (show) | Aoun, B. |
| 1 | (show) | Au, H. |
| 1 | (show) | Ayatollahi, S. F. |
| 1 | (show) | Bahrami, M. |
| 1 | (show) | Baker, G. A. |
| 1 | (show) | Banerjee, T. |
| 1 | (show) | Barone, V. |
| 1 | (show) | Barros, L. M. S. |
| 1 | (show) | Batchu, N. K. |
| 1 | (show) | Becker, J. |
| 1 | (show) | Bhargava, B. L. |
| 1 | (show) | Bhattacharyya, S. |
| 1 | (show) | Binnemans, K. |
| 1 | (show) | Brancato, G. |
| 1 | (show) | Brüssel, M. |
| 1 | (show) | Burda, C. |
| 1 | (show) | Cai, Q. |
| 1 | (show) | Cerajewski, U. |
| 1 | (show) | Chaban, V. V. |
| 1 | (show) | Chandramouli, B. |
| 1 | (show) | Choi, S. |
| 1 | (show) | Chowdhuri, S. |
| 1 | (show) | Chu, R. |
| 1 | (show) | Chen, D. |
| 1 | (show) | Chen, Y. |
| 1 | (show) | Cheng, Y. |
| 1 | (show) | Cosby, T. |
| 1 | (show) | Costa, L. |
| 1 | (show) | Costa, L. T. |
| 1 | (show) | Cottom, J. |
| 1 | (show) | Cui, P. |
| 1 | (show) | Cui, Z. |
| 1 | (show) | da Silva, G. C. Q. |
| 1 | (show) | Dadmun, M. |
| 1 | (show) | David, D. A. |
| 1 | (show) | de Freitas, A. A. |
| 1 | (show) | de Oliveira, M. C. K. |
| 1 | (show) | de Souza, W. F. |
| 1 | (show) | Dhananjay, |
| 1 | (show) | Diao, K. |
| 1 | (show) | Diao, Y. |
| 1 | (show) | Dick, L. |
| 1 | (show) | Ding, W. |
| 1 | (show) | Dong, H. |
| 1 | (show) | Doubek, G. |
| 1 | (show) | Drew, A. J. |
| 1 | (show) | Ebadi, M. |
| 1 | (show) | Ebrahimi, S. |
| 1 | (show) | Elgammal, R. A. |
| 1 | (show) | Esser, L. |
| 1 | (show) | Esteves, P. M. |
| 1 | (show) | Fang, W. |
| 1 | (show) | Farzi, N. |
| 1 | (show) | Fraenza, C. |
| 1 | (show) | Frate, G. D. |
| 1 | (show) | Garaga, M. N. |
| 1 | (show) | Gathiaka, S. |
| 1 | (show) | Goel, H. |
| 1 | (show) | Goloviznina, K. |
| 1 | (show) | Gong, Z. |
| 1 | (show) | Guo, Q. |
| 1 | (show) | Guo, X.-Y. |
| 1 | (show) | Guo, Y. |
| 1 | (show) | Hao, X. |
| 1 | (show) | Haque, M. A. |
| 1 | (show) | Horta, B. A. C. |
| 1 | (show) | Hunt, P. |
| 1 | (show) | Hunt, P. A. |
| 1 | (show) | Huo, F. |
| 1 | (show) | Idrissi, A. |
| 1 | (show) | Filho, R. M. |
| 1 | (show) | George Varghese, P. J. |
| 1 | (show) | George, J. J. |
| 1 | (show) | Ghahremani, R. |
| 1 | (show) | Ghosh, R. |
| 1 | (show) | Giudice, A. D. |
| 1 | (show) | He, H. |
| 1 | (show) | Headen, T. F. |
| 1 | (show) | Hempelmann, R. |
| 1 | (show) | Henkel, S. |
| 1 | (show) | Heroux, L. |
| 1 | (show) | Hinderberger, D. |
| 1 | (show) | Heitz, M. P. |
| 1 | (show) | Jackson, A. A. |
| 1 | (show) | Jafferali, J. F. M. |
| 1 | (show) | Jensen, A. C. S. |
| 1 | (show) | Júlio, J. P. O. |
| 1 | (show) | Kalugin, O. N. |
| 1 | (show) | Kapoor, U. |
| 1 | (show) | Karuth, A. |
| 1 | (show) | Kay, C. W. M. |
| 1 | (show) | Kazuo, Y. |
| 1 | (show) | Kearns, F. L. |
| 1 | (show) | Kenar, J. A. |
| 1 | (show) | Khakan, H. |
| 1 | (show) | Khaliullin, R. Z. |
| 1 | (show) | Khorrami, F. |
| 1 | (show) | Kim, I. |
| 1 | (show) | Kim, Y. H. |
| 1 | (show) | Kirsch, C. |
| 1 | (show) | Kolodziej, C. |
| 1 | (show) | Korsun, O. M. |
| 1 | (show) | Korth, M. |
| 1 | (show) | Koverga, V. A. |
| 1 | (show) | Kowsari, M. H. |
| 1 | (show) | Kraus, T. |
| 1 | (show) | Kumar, N. |
| 1 | (show) | Kuttich, B. |
| 1 | (show) | Kwon, J.-H. |
| 1 | (show) | Leonelli, F. |
| 1 | (show) | Li, B. |
| 1 | (show) | Li, C. |
| 1 | (show) | Li, Z. |
| 1 | (show) | Liu, B. |
| 1 | (show) | Liu, L. |
| 1 | (show) | Liu, Q. |
| 1 | (show) | Liu, S. |
| 1 | (show) | Liu, W. |
| 1 | (show) | Liu, Y. |
| 1 | (show) | Lee, H. S. |
| 1 | (show) | Lee, Y.-Y. |
| 1 | (show) | Lopes, J. N. C. |
| 1 | (show) | López-Arbeloa, I. |
| 1 | (show) | Lv, G. |
| 1 | (show) | Macchiagodena, M. |
| 1 | (show) | Mancini, G. |
| 1 | (show) | Marekha, B. A. |
| 1 | (show) | Memar, Z. O. |
| 1 | (show) | Méndez-Morales, T. |
| 1 | (show) | Meng, X. |
| 1 | (show) | Moosavi, S. S. |
| 1 | (show) | Moradi, H. |
| 1 | (show) | Moradi, K. |
| 1 | (show) | Mota, J. V. L. |
| 1 | (show) | Naderi, O. |
| 1 | (show) | Naik, P. K. |
| 1 | (show) | Namazian, M. |
| 1 | (show) | Nepel, T. C. M. |
| 1 | (show) | Oliveira, F. G. |
| 1 | (show) | Olsson, E. |
| 1 | (show) | Omidvar, A. |
| 1 | (show) | Ottaviani, C. |
| 1 | (show) | Pádua, A. A. H. |
| 1 | (show) | Page, A. J. |
| 1 | (show) | Pan, Z. |
| 1 | (show) | Panda, D. K. |
| 1 | (show) | Panzer, M. |
| 1 | (show) | Parida, C. |
| 1 | (show) | Peng, J. |
| 1 | (show) | Penley, D. |
| 1 | (show) | Peschel, C. |
| 1 | (show) | Poe, D. |
| 1 | (show) | Pylaeva, S. A. |
| 1 | (show) | Rai, N. |
| 1 | (show) | Raghavan, P. |
| 1 | (show) | Ramzan, M. |
| 1 | (show) | Rasulev, B. |
| 1 | (show) | Rauber, D. |
| 1 | (show) | Reddy, T. D. N. |
| 1 | (show) | Ren, X. |
| 1 | (show) | Ribadeneyra, M. C. |
| 1 | (show) | Roos, A. H. |
| 1 | (show) | Roos, E. |
| 1 | (show) | Rudorff, G. |
| 1 | (show) | Sabura Begum, P. M. |
| 1 | (show) | Saddiq, G. |
| 1 | (show) | Sadeghi, R. |
| 1 | (show) | Sakhtemanian, L. |
| 1 | (show) | Sangoro, J. |
| 1 | (show) | Schröder, C. |
| 1 | (show) | Scheiber, H. |
| 1 | (show) | Shah, J. K. |
| 1 | (show) | Shokri, S. |
| 1 | (show) | Seitsonen, A. P. |
| 1 | (show) | Shi, Y. |
| 1 | (show) | Shimizu, K. |
| 1 | (show) | Sieland, M. |
| 1 | (show) | Smarsly, B. M. |
| 1 | (show) | Smith, C. J. |
| 1 | (show) | Soltanabadi, A. |
| 1 | (show) | Sookhaki, E. |
| 1 | (show) | Spittle, S. |
| 1 | (show) | Squire, H. |
| 1 | (show) | Stark, A. |
| 1 | (show) | Stefanovic, R. |
| 1 | (show) | Steinrücken, E. |
| 1 | (show) | Su, B. |
| 1 | (show) | Su, Z. |
| 1 | (show) | Sun, C. |
| 1 | (show) | Sun, L. |
| 1 | (show) | Sun, Q. |
| 1 | (show) | Szabadi, A. |
| 1 | (show) | Thar, J. |
| 1 | (show) | Titirici, M. |
| 1 | (show) | Träger, J. |
| 1 | (show) | Trenzado, J. L. |
| 1 | (show) | Tuckerman, M. |
| 1 | (show) | Tyagi, M. |
| 1 | (show) | Vogel, M. |
| 1 | (show) | Wagle, D. V. |
| 1 | (show) | Wang, B. |
| 1 | (show) | Wang, X. |
| 1 | (show) | Wang, Y. |
| 1 | (show) | Watanabe, M. |
| 1 | (show) | Webber, G. B. |
| 1 | (show) | Welton, T. |
| 1 | (show) | Windom, Z. W. |
| 1 | (show) | Wei, Q. |
| 1 | (show) | Woodcock, H. L. |
| 1 | (show) | Wu, G. |
| 1 | (show) | Xiao, L. |
| 1 | (show) | Xing, J. |
| 1 | (show) | Yan, X. |
| 1 | (show) | Yao, J. |
| 1 | (show) | Yeom, M. S. |
| 1 | (show) | Yi, Q. |
| 1 | (show) | Yi, S.-H. |
| 1 | (show) | Yeganegi, S. |
| 1 | (show) | Yu, S. |
| 1 | (show) | Zawodzinski, T. |
| 1 | (show) | Zhao, P. |
| 1 | (show) | Zhao, Y. |
| 1 | (show) | Zhong, X. |
| 1 | (show) | Zhou, M. |
— Journal List —
Only showing work with “MSDs (Mean Square Displacements), Diffusion Coefficients” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 78 articles shown above were published in 38 different journals.
| Citations | Journal Name | |
|---|---|---|
| 13 | (show) | J. Mol. Liq. |
| 10 | (show) | Phys. Chem. Chem. Phys. |
| 8 | (show) | J. Chem. Phys. |
| 8 | (show) | J. Phys. Chem. B |
| 5 | (show) | Ind. Eng. Chem. Res. |
| 2 | (show) | ACS Omega |
| 1 | (show) | ACS Appl. Energy Mater. |
| 1 | (show) | ACS Sustainable Chem. Eng. |
| 1 | (show) | Adv. Mater. Interfaces |
| 1 | (show) | Batter. Supercaps |
| 1 | (show) | Cem. Concr. Res. |
| 1 | (show) | Chem. Phys. |
| 1 | (show) | ChemPhysChem |
| 1 | (show) | ChemSusChem |
| 1 | (show) | Electrochim. Acta |
| 1 | (show) | Energy Fuels |
| 1 | (show) | Energy Storage Mater. |
| 1 | (show) | Entropy |
| 1 | (show) | Fuel |
| 1 | (show) | J. Adv. Concr. Technol. |
| 1 | (show) | J. Chem. Eng. Data |
| 1 | (show) | J. Chem. Theory Comput. |
| 1 | (show) | J. Comput. Chem. |
| 1 | (show) | J. Environ. Chem. Eng. |
| 1 | (show) | J. Mater. Chem.A |
| 1 | (show) | J. Mol. Graph. Model. |
| 1 | (show) | J. Phys.: Condens. Matter |
| 1 | (show) | J. Phys. Chem. A |
| 1 | (show) | J. Phys. Chem. C |
| 1 | (show) | Molecules |
| 1 | (show) | Nanomaterials |
| 1 | (show) | Nat. Commun. |
| 1 | (show) | Polymers |
| 1 | (show) | RSC Adv. |
| 1 | (show) | Sci. Rep. |
| 1 | (show) | Sol. Energy Mater. Sol. Cells |
| 1 | (show) | Sol. Energy Mater Sol. Cells |
| 1 | (show) | Struct. Chem. |
