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 “Gutiérrez, A.”. Show all citations.

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

5 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Behavior of Antibiotics in Natural Deep Eutectic Solvents"
J. Chem. Eng. Data 2020, 65 (9), 4669–4683.     (DOI 10.1021/acs.jced.0c00519 ) ⭳ Bib
Uses TRAVIS for RDF.
4 A. Gutiérrez, M. M. Alavianmehr, S. M. Hosseini, R. Ahmadi, S. Aparicio:
"Theoretical Study of Hydrogen Bonding in Complex Alcohol Liquid Mixtures"
J. Mol. Liq. 2020, 300, 112331.     (DOI 10.1016/j.molliq.2019.112331 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac.
3 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Theoretical Study on Deep Eutectic Solvents As Vehicles for the Delivery of Anesthetics"
J. Phys. Chem. B 2020, 124 (9), 1794–1805.     (DOI 10.1021/acs.jpcb.9b11756 ) ⭳ Bib
2 A. Gutiérrez, S. Aparicio, M. Atilhan:
"Design of Arginine-Based Therapeutic Deep Eutectic Solvents as Drug Solubilization Vehicles for Active Pharmaceutical Ingredients"
Phys. Chem. Chem. Phys. 2019, 21 (20), 10621–10634.     (DOI 10.1039/C9CP01408J ) ⭳ Bib
1 J. L. Trenzado, A. Gutiérrez, R. Alcalde, M. Atilhan, S. Aparicio:
"Insights on [BMIm][BF4] and [BMIm][PF6] Ionic Liquids and Their Binary Mixtures with Acetone and Acetonitrile"
J. Mol. Liq. 2019, 294, 111632.     (DOI 10.1016/j.molliq.2019.111632 ) ⭳ Bib

— Author List —

Only showing results by author “Gutiérrez, A.”. 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)Aparicio, S.
5(show)Gutiérrez, A.
4(show)Atilhan, M.
1(show)Ahmadi, R.
1(show)Alavianmehr, M. M.
1(show)Alcalde, R.
1(show)Hosseini, S. M.
1(show)Trenzado, J. L.

— Journal List —

Only showing results by author “Gutiérrez, A.”. 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. Mol. Liq.
1(show)J. Chem. Eng. Data
1(show)J. Phys. Chem. B
1(show)Phys. Chem. Chem. Phys.