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 “Aggregate Lifetimes (H Bonds, ...), Reactive Flux” 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)
86 citations match the query. Show continuous list view.
— 2023 —
— 2022 —
— 2021 —
— 2020 —
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— 2018 —
— 2017 —
— 2016 —
12 | O. Hollóczki: "Unveiling the Peculiar Hydrogen Bonding Behavior of Solvated N-Heterocyclic Carbenes" Phys. Chem. Chem. Phys. 2016, 18 (1), 126–140. (DOI 10.1039/C5CP05369B ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF, Aggr . |
11 | 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 —
— 2014 —
6 | A. Stark, M. Brehm, M. Brüssel, S. B. C. Lehmann, A. S. Pensado, M. Schöppke, B. Kirchner: "A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures" Top. Curr. Chem. 2014, 351, 149–187. (DOI 10.1007/128_2013_485 ) ⭳ Bib Uses TRAVIS for CDF, Aggr . |
— 2013 —
5 | 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. |
4 | V. Migliorati, A. Zitolo, P. D'Angelo: "Using a Combined Theoretical and Experimental Approach to Understand the Structure and Dynamics of Imidazolium-Based Ionic Liquids/Water Mixtures. 1. MD Simulations" J. Phys. Chem. B 2013, 117 (41), 12505–12515. (DOI 10.1021/jp4048677 ) ⭳ Bib Uses TRAVIS for SDF, Aggr . |
— 2012 —
3 | 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. |
— 2011 —
2 | M. Kohagen, M. Brehm, Y. Lingscheid, R. Giernoth, J. Sangoro, F. Kremer, S. Naumov, C. Iacob, J. Kärger, R. Valiullin, B. Kirchner: "How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1-n-Butyl-3-methylimidazolium Bromide" J. Phys. Chem. B 2011, 115 (51), 15280–15288. (DOI 10.1021/jp206974h ) ⭳ Bib Uses TRAVIS for SDF, CDF, Aggr . |
1 | M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, B. Kirchner: "Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide" J. Phys. Chem. B 2011, 115 (4), 693–702. (DOI 10.1021/jp109612k ) ⭳ Bib Uses TRAVIS for RDF, SDF, Aggr , RDyn. |
— Author List —
Only showing work with “Aggregate Lifetimes (H Bonds, ...), Reactive Flux” from TRAVIS. Show all citations.
Go to Article List, go to Journal List.
221 different authors contributed to the 86 articles shown above.
Citations ↓ A–Z | Author Name ↓ A–Z | |
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17 | (show) | Kirchner, B. |
10 | (show) | Brehm, M. |
9 | (show) | Gehrke, S. |
9 | (show) | Mallik, B. S. |
8 | (show) | Paul, S. |
7 | (show) | Hollóczki, O. |
6 | (show) | Chattaraj, K. G. |
5 | (show) | Campetella, M. |
5 | (show) | Gontrani, L. |
5 | (show) | Moosavi, M. |
5 | (show) | Reddy, T. D. N. |
4 | (show) | Macchieraldo, R. |
4 | (show) | Sebastiani, D. |
4 | (show) | Torkzadeh, M. |
3 | (show) | Biswas, A. |
3 | (show) | Caminiti, R. |
3 | (show) | Gurkan, B. |
3 | (show) | Maginn, E. J. |
3 | (show) | Nesterov, P. V. |
3 | (show) | Novikov, A. S. |
3 | (show) | Pensado, A. S. |
3 | (show) | Shilovskikh, V. V. |
3 | (show) | Skorb, E. V. |
3 | (show) | Timralieva, A. A. |
3 | (show) | Zolghadr, A. R. |
2 | (show) | Balducci, A. |
2 | (show) | Bernardino, K. |
2 | (show) | Dadmun, M. |
2 | (show) | Dokoohaki, M. H. |
2 | (show) | D'Angelo, P. |
2 | (show) | Elfgen, R. |
2 | (show) | Esser, L. |
2 | (show) | France-Lanord, A. |
2 | (show) | Gladden, J. M. |
2 | (show) | Greenbaum, S. |
2 | (show) | Grossman, J. C. |
2 | (show) | Ghatee, M. H. |
2 | (show) | Heroux, L. |
2 | (show) | Kohagen, M. |
2 | (show) | Kondratyuk, N. D. |
2 | (show) | Macchiagodena, M. |
2 | (show) | Malberg, F. |
2 | (show) | Migliorati, V. |
2 | (show) | Mohammadpour, F. |
2 | (show) | Mohan, M. |
2 | (show) | Orekhov, N. D. |
2 | (show) | Poe, D. |
2 | (show) | Pylaeva, S. A. |
2 | (show) | Ray, P. |
2 | (show) | Ribeiro, M. C. C. |
2 | (show) | Sangoro, J. |
2 | (show) | Shao-Horn, Y. |
2 | (show) | Simmons, B. A. |
2 | (show) | Smarsly, B. M. |
2 | (show) | Squire, H. |
2 | (show) | Thar, J. |
2 | (show) | Thomas, M. |
2 | (show) | von Domaros, M. |
2 | (show) | Zahn, S. |
2 | (show) | Zhang, Y. |
1 | (show) | Abreu, P. E. |
1 | (show) | Agieienko, V. |
1 | (show) | Allolio, C. |
1 | (show) | Apostolidou, C. |
1 | (show) | Aquilanti, G. |
1 | (show) | Baker, G. A. |
1 | (show) | Barone, V. |
1 | (show) | Batchu, N. K. |
1 | (show) | Belogub, E. V. |
1 | (show) | Bencivenni, L. |
1 | (show) | Bhargava, B. L. |
1 | (show) | Bhattacharyya, S. |
1 | (show) | Binnemans, K. |
1 | (show) | Biswas, R. |
1 | (show) | Biswas, S. |
1 | (show) | Brüssel, M. |
1 | (show) | Buchner, R. |
1 | (show) | Burda, C. |
1 | (show) | Capitani, F. |
1 | (show) | Cardini, G. |
1 | (show) | Choudhary, H. |
1 | (show) | Chen, D. |
1 | (show) | Clark, R. |
1 | (show) | Cosby, T. |
1 | (show) | Crabb, E. |
1 | (show) | Czurlok, D. |
1 | (show) | Daniele, M. |
1 | (show) | de Freitas, A. A. |
1 | (show) | Denisov, G. S. |
1 | (show) | Dhananjay, |
1 | (show) | Diao, K. |
1 | (show) | Doherty, B. |
1 | (show) | Doherty, B. W. |
1 | (show) | Dolado, J. S. |
1 | (show) | Dreßler, C. |
1 | (show) | Duque-Redondo, E. |
1 | (show) | Elgammal, R. A. |
1 | (show) | Fang, W. |
1 | (show) | Fasolato, C. |
1 | (show) | Fraenza, C. |
1 | (show) | Gao, H. |
1 | (show) | Garaga, M. N. |
1 | (show) | Gleim, J. |
1 | (show) | Gurzhiy, V. V. |
1 | (show) | Haque, M. A. |
1 | (show) | Horinek, D. |
1 | (show) | Hwang, G. S. |
1 | (show) | Iacob, C. |
1 | (show) | Imoro, N. |
1 | (show) | Firaha, D. S. |
1 | (show) | George, A. |
1 | (show) | Gets, D. |
1 | (show) | Ghahremani, R. |
1 | (show) | Giernoth, R. |
1 | (show) | Heitz, M. P. |
1 | (show) | Johnson, J. A. |
1 | (show) | Kalb, R. S. |
1 | (show) | Kapoor, U. |
1 | (show) | Kärger, J. |
1 | (show) | Khorrami, F. |
1 | (show) | Koeppe, B. |
1 | (show) | Kokorin, A. I. |
1 | (show) | Kolodziej, C. |
1 | (show) | Konstantinova, E. A. |
1 | (show) | Kowsari, M. H. |
1 | (show) | Kremer, F. |
1 | (show) | Kumar, P. |
1 | (show) | Lavrentev, F. V. |
1 | (show) | Leonelli, F. |
1 | (show) | Leverick, G. |
1 | (show) | Liang, Z. |
1 | (show) | Lima, T. A. |
1 | (show) | Limbach, H.-H. |
1 | (show) | Lindner, J. |
1 | (show) | Lingscheid, Y. |
1 | (show) | Liu, B. |
1 | (show) | Liu, W. |
1 | (show) | Lee, Y.-Y. |
1 | (show) | Lehmann, S. B. C. |
1 | (show) | Long, Z. |
1 | (show) | Lopes, J. N. C. |
1 | (show) | Luo, Q. |
1 | (show) | Lupi, S. |
1 | (show) | Luzar, A. |
1 | (show) | Lv, G. |
1 | (show) | Lv, J. |
1 | (show) | Maity, N. C. |
1 | (show) | Maji, D. |
1 | (show) | Mancini, G. |
1 | (show) | Manzano, H. |
1 | (show) | Mariani, A. |
1 | (show) | Marques, J. M. C. |
1 | (show) | Mathon, O. |
1 | (show) | Memar, Z. O. |
1 | (show) | Méndez-Morales, T. |
1 | (show) | Montes-Campos, H. |
1 | (show) | Moosavi, S. S. |
1 | (show) | Moradi, M. |
1 | (show) | Moskalenko, I. V. |
1 | (show) | Müller-Plathe, F. |
1 | (show) | Naumov, S. |
1 | (show) | Nebalueva, A. |
1 | (show) | Nikpour, A. |
1 | (show) | Olivi, L. |
1 | (show) | Ortuño, M. A. |
1 | (show) | Pagliai, M. |
1 | (show) | Pan, Z. |
1 | (show) | Panda, D. K. |
1 | (show) | Pascarelli, S. |
1 | (show) | Peng, J. |
1 | (show) | Penley, D. |
1 | (show) | Postorino, P. |
1 | (show) | Prakash, P. |
1 | (show) | Qu, Y. |
1 | (show) | Ramya, K. R. |
1 | (show) | Roos, E. |
1 | (show) | Sakhtemanian, L. |
1 | (show) | Sale, K. |
1 | (show) | Sale, K. L. |
1 | (show) | Salma, U. |
1 | (show) | Santos, J. R. C. |
1 | (show) | Scarpellini, E. |
1 | (show) | Schmitz, K. |
1 | (show) | Schöppke, M. |
1 | (show) | Serva, A. |
1 | (show) | Shah, J. K. |
1 | (show) | Singh, S. |
1 | (show) | Seitsonen, A. P. |
1 | (show) | Shimizu, K. |
1 | (show) | Sieland, M. |
1 | (show) | Smith, C. J. |
1 | (show) | Sokolov, A. D. |
1 | (show) | Spittle, S. |
1 | (show) | Stark, A. |
1 | (show) | Stephens, R. |
1 | (show) | Stettner, T. |
1 | (show) | Sun, Q. |
1 | (show) | Tolstoy, P. M. |
1 | (show) | Tuckerman, M. |
1 | (show) | Tuckerman, M. E. |
1 | (show) | Tyagi, M. |
1 | (show) | Valiullin, R. |
1 | (show) | Varela, L. M. |
1 | (show) | Venkatnathan, A. |
1 | (show) | Voepel, P. |
1 | (show) | Vöhringer, P. |
1 | (show) | Wagle, D. V. |
1 | (show) | Wang, X. |
1 | (show) | Wang, Y. |
1 | (show) | Watanabe, M. |
1 | (show) | Welton, T. |
1 | (show) | Wong, B. M. |
1 | (show) | Xiao, M. |
1 | (show) | Xie, T. |
1 | (show) | Yadav, V. K. |
1 | (show) | Yamada, K. |
1 | (show) | Yoon, B. |
1 | (show) | Zawodzinski, T. |
1 | (show) | Zhao, P. |
1 | (show) | Zhao, W. |
1 | (show) | Zitolo, A. |
— Journal List —
Only showing work with “Aggregate Lifetimes (H Bonds, ...), Reactive Flux” from TRAVIS. Show all citations.
Go to Article List, go to Author List.
The 86 articles shown above were published in 35 different journals.
Citations | Journal Name | |
---|---|---|
17 | (show) | J. Phys. Chem. B |
16 | (show) | Phys. Chem. Chem. Phys. |
8 | (show) | J. Mol. Liq. |
7 | (show) | J. Chem. Phys. |
4 | (show) | ACS Omega |
2 | (show) | Chem. Phys. Lett. |
2 | (show) | Ind. Eng. Chem. Res. |
2 | (show) | J. Chem. Eng. Data |
2 | (show) | RSC Adv. |
1 | (show) | ACS Sustainable Chem. Eng. |
1 | (show) | Adv. Theor. Simul. |
1 | (show) | Chem. Eng. J. |
1 | (show) | Chem. Eur. J |
1 | (show) | Chem. Mater. |
1 | (show) | Chem. Res. Toxicol. |
1 | (show) | ChemPhysChem |
1 | (show) | ChemSusChem |
1 | (show) | Comput. Mater. Sci. |
1 | (show) | Comput. Theor. Chem. |
1 | (show) | Energy Fuels |
1 | (show) | Faraday Discuss. |
1 | (show) | Green Chem. |
1 | (show) | Int. J. Quantum Chem. |
1 | (show) | J. Chem. Inf. Model. |
1 | (show) | J. Chem. Theory Comput. |
1 | (show) | J. Phys.: Condens. Matter |
1 | (show) | J. Phys. Chem. A |
1 | (show) | Mol. Phys. |
1 | (show) | Molecules |
1 | (show) | Nat. Commun. |
1 | (show) | Sci. Rep. |
1 | (show) | Soft Matter |
1 | (show) | Symmetry |
1 | (show) | Theor. Chem. Acc. |
1 | (show) | Top. Curr. Chem. |