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 “Blasius, J.”. Show all citations.

Go to Author List, go to Journal List.

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

7 P. Zaby, J. Blasius, A. K. Müller, S. P. Nolan, O. Hollóczki:
"Liquid Dynamics Determine Transition Metal-N-Heterocyclic Carbene Complex Formation"
Chem. Eur. J. 2023, 29 (18), e202203636.     (DOI 10.1002/chem.202203636 ) ⭳ Bib
Uses TRAVIS for RDF.
6 H. Niemöller, J. Blasius, O. Hollóczki, B. Kirchner:
"How Do Alternative Amino Acids Behave in Water? A Comparative ab initio Molecular Dynamics Study of Solvated a-Amino Acids and a-Amino Amidines"
J. Mol. Liq. 2022, 367, 120282.     (DOI 10.1016/j.molliq.2022.120282 ) ⭳ Bib
5 T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner:
"Cluster Analysis in Liquids: A Novel Tool in Travis"
J. Chem. Inf. Model. 2022, 62 (22), 5634–5644.     (DOI 10.1021/acs.jcim.2c01244 ) ⭳ Bib
Uses TRAVIS for RDF.
4 M. A. Grasser, T. Pietsch, J. Blasius, O. Hollóczki, E. Brunner, T. Doert, M. Ruck:
"Coexistence of Tellurium Cations and Anions in Phosphonium-Based Ionic Liquids"
Chem. Eur. J 2022, 28 (7), e202103770.     (DOI 10.1002/chem.202103770 ) ⭳ Bib
3 J. Blasius, P. Zaby, O. Hollóczki, B. Kirchner:
"Recognition in Chiral Ionic Liquids: The Achiral Cation Makes the Difference!"
J. Org. Chem. 2022, 87 (3), 1867–1873.     (DOI 10.1021/acs.joc.1c00939 ) ⭳ Bib
2 B. Kirchner, J. Blasius, L. Esser, W. Reckien:
"Predicting Vibrational Spectroscopy for Flexible Molecules and Molecules with Non-Idle Environments"
Adv. Theory Simul. 2021, 4 (4), 2000223.     (DOI 10.1002/adts.202000223 ) ⭳ Bib
Uses TRAVIS for CDF, Spec.
1 J. Blasius, R. Elfgen, O. Hollóczki, B. Kirchner:
"Glucose in Dry and Moist Ionic Liquid: Vibrational Circular Dichroism, IR, and Possible Mechanisms"
Phys. Chem. Chem. Phys. 2020, 22, 10726–10737.     (DOI 10.1039/C9CP06798A ) ⭳ Bib
Uses TRAVIS for RDF, NI, Spec.

— Author List —

Only showing results by author “Blasius, J.”. Show all citations.

Go to Article List, go to Journal List.

19 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
7(show)Blasius, J.
5(show)Hollóczki, O.
5(show)Kirchner, B.
2(show)Zaby, P.
1(show)Alizadeh, V.
1(show)Brehm, M.
1(show)Brunner, E.
1(show)Chaumont, A.
1(show)Doert, T.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Frömbgen, T.
1(show)Grasser, M. A.
1(show)Müller, A. K.
1(show)Niemöller, H.
1(show)Nolan, S. P.
1(show)Pietsch, T.
1(show)Reckien, W.
1(show)Ruck, M.

— Journal List —

Only showing results by author “Blasius, J.”. Show all citations.

Go to Article List, go to Author List.

The 7 articles shown above were published in 7 different journals.

CitationsJournal Name
1(show)Adv. Theory Simul.
1(show)Chem. Eur. J
1(show)Chem. Eur. J.
1(show)J. Chem. Inf. Model.
1(show)J. Mol. Liq.
1(show)J. Org. Chem.
1(show)Phys. Chem. Chem. Phys.