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).

— Work Citing TRAVIS —

Only showing results by author “Paluch, A. S.”. Show all citations.

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

5 S. J. Sabatino, A. S. Paluch:
"Predicting Octanol/Water Partition Coefficients Using Molecular Simulation for the SAMPL7 Challenge: Comparing the Use of Neat and Water Saturated 1-Octanol"
J. Comput.-Aided Mol. Des. 2021, 35, 1009–1024.     (DOI 10.1007/s10822-021-00415-4 ) ⭳ Bib
Uses TRAVIS for RDF.
4 J. Noroozi, A. S. Paluch:
"Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation Study"
J. Phys. Chem. B 2017, 121 (7), 1660–1674.     (DOI 10.1021/acs.jpcb.6b12390 ) ⭳ Bib
3 R. T. Ley, A. S. Paluch:
"Understanding the Large Solubility of Lidocaine in 1-n-Butyl-3-methylimidazolium Based Ionic Liquids Using Molecular Simulation"
J. Chem. Phys. 2016, 144 (8), 84501.     (DOI 10.1063/1.4942025 ) ⭳ Bib
Uses TRAVIS for SDF.
2 O. V. Oliveira, A. S. Paluch, L. T. Costa:
"A Molecular Understanding of the Phase-Behavior of Thiophene in the Ionic Liquid [C4MIm]+[BF4]− for Extraction from Petroleum Streams"
Fuel 2016, 175, 225–231.     (DOI 10.1016/j.fuel.2016.02.016 ) ⭳ Bib
Uses TRAVIS for SDF.
1 A. S. Paluch, T. C. Lourenço, F. Han, L. T. Costa:
"Understanding the Solubility of Acetaminophen in 1-n-Alkyl-3-methylimidazolium-Based Ionic Liquids Using Molecular Simulation"
J. Phys. Chem. B 2016, 120 (13), 3360–3369.     (DOI 10.1021/acs.jpcb.5b11648 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Paluch, A. S.”. Show all citations.

Go to Article List, go to Journal List.

8 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Paluch, A. S.
2(show)Costa, L. T.
1(show)Han, F.
1(show)Ley, R. T.
1(show)Lourenço, T. C.
1(show)Noroozi, J.
1(show)Oliveira, O. V.
1(show)Sabatino, S. J.

— Journal List —

Only showing results by author “Paluch, A. S.”. Show all citations.

Go to Article List, go to Author List.

The 5 articles shown above were published in 4 different journals.

CitationsJournal Name
2(show)J. Phys. Chem. B
1(show)J. Chem. Phys.
1(show)J. Comput.-Aided Mol. Des.