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:
“TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation”,
J. Chem. Phys. 2020, 152 (16), 164105, DOI 10.1063/5.0005078.

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 results by author “Castner, E. W.”. Show all citations.

Go to Author List, go to Journal List.

9 citations match the query.  Show sub-lists per year.

9 F. Lo Celso, G. B. Appetecchi, E. Simonetti, M. Zhao, E. W. Castner, U. Keiderling, L. Gontrani, A. Triolo, O. Russina:
"Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids"
Front. Chem. 2019, 7, 285.     (DOI 10.3389/fchem.2019.00285 ) ⭳ Bib
8 M. Zhao, B. Wu, S. I. Lall-Ramnarine, J. D. Ramdihal, K. A. Papacostas, E. D. Fernandez, R. A. Sumner, C. J. Margulis, J. F. Wishart, E. W. Castner:
"Structural Analysis of Ionic Liquids with Symmetric and Asymmetric Fluorinated Anions"
J. Chem. Phys. 2019, 151 (7), 74504.     (DOI 10.1063/1.5111643 ) ⭳ Bib
Uses TRAVIS for SDF.
7 M. Campetella, A. Mariani, C. Sadun, B. Wu, E. W. Castner, L. Gontrani:
"Structure and Dynamics of Propylammonium Nitrate-Acetonitrile Mixtures: An Intricate Multi-Scale System Probed with Experimental and Theoretical Techniques"
J. Chem. Phys. 2018, 148 (13), 134507.     (DOI 10.1063/1.5021868 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
6 B. Wu, K. Kuroda, K. Takahashi, E. W. Castner:
"Structural Analysis of Zwitterionic Liquids vs. Homologous Ionic Liquids"
J. Chem. Phys. 2018, 148 (19), 193807.     (DOI 10.1063/1.5010983 ) ⭳ Bib
5 S. I. Lall-Ramnarine, M. Zhao, C. Rodriguez, R. Fernandez, N. Zmich, E. D. Fernandez, S. B. Dhiman, E. W. Castner, J. F. Wishart:
"Connecting Structural and Transport Properties of Ionic Liquids with Cationic Oligoether Chains"
J. Electrochem. Soc. 2017, 164 (8), H5247–H5262.     (DOI 10.1149/2.0371708jes ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac.
4 K. B. Dhungana, L. F. O. Faria, B. Wu, M. Liang, M. C. C. Ribeiro, C. J. Margulis, E. W. Castner:
"Structure of Cyano-Anion Ionic Liquids: X-Ray Scattering and Simulations"
J. Chem. Phys. 2016, 145 (2), 24503.     (DOI 10.1063/1.4955186 ) ⭳ Bib
Uses TRAVIS for SDF.
3 B. Wu, H. Shirota, S. I. Lall-Ramnarine, E. W. Castner:
"Structure of Ionic Liquids with Cationic Silicon-Substitutions"
J. Chem. Phys. 2016, 145 (11), 114501.     (DOI 10.1063/1.4962257 ) ⭳ Bib
Uses TRAVIS for SDF.
2 B. Wu, Y. Yamashita, T. Endo, K. Takahashi, E. W. Castner:
"Structure and Dynamics of Ionic Liquids: Trimethylsilylpropyl-Substituted Cations and Bis(sulfonyl)amide Anions"
J. Chem. Phys. 2016, 145 (24), 244506.     (DOI 10.1063/1.4972410 ) ⭳ Bib
Uses TRAVIS for SDF.
1 Q. R. Sheridan, S. Oh, O. Morales-Collazo, E. W. Castner, J. F. Brennecke, E. J. Maginn:
"Liquid Structure of CO2–Reactive Aprotic Heterocyclic Anion Ionic Liquids from X-Ray Scattering and Molecular Dynamics"
J. Phys. Chem. B 2016, 120 (46), 11951–11960.     (DOI 10.1021/acs.jpcb.6b07713 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Castner, E. W.”. Show all citations.

Go to Article List, go to Journal List.

38 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Castner, E. W.
6(show)Wu, B.
3(show)Lall-Ramnarine, S. I.
3(show)Zhao, M.
2(show)Gontrani, L.
2(show)Fernandez, E. D.
2(show)Margulis, C. J.
2(show)Takahashi, K.
2(show)Wishart, J. F.
1(show)Appetecchi, G. B.
1(show)Brennecke, J. F.
1(show)Campetella, M.
1(show)Dhungana, K. B.
1(show)Dhiman, S. B.
1(show)Endo, T.
1(show)Faria, L. F. O.
1(show)Fernandez, R.
1(show)Keiderling, U.
1(show)Kuroda, K.
1(show)Liang, M.
1(show)Lo Celso, F.
1(show)Maginn, E. J.
1(show)Mariani, A.
1(show)Morales-Collazo, O.
1(show)Oh, S.
1(show)Papacostas, K. A.
1(show)Ramdihal, J. D.
1(show)Ribeiro, M. C. C.
1(show)Rodriguez, C.
1(show)Russina, O.
1(show)Sadun, C.
1(show)Simonetti, E.
1(show)Sheridan, Q. R.
1(show)Shirota, H.
1(show)Sumner, R. A.
1(show)Triolo, A.
1(show)Yamashita, Y.
1(show)Zmich, N.

— Journal List —

Only showing results by author “Castner, E. W.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 4 different journals.

CitationsJournal Name
6(show)J. Chem. Phys.
1(show)Front. Chem.
1(show)J. Electrochem. Soc.
1(show)J. Phys. Chem. B