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 “Kashyap, H. K.”. Show all citations.

Go to Author List, go to Journal List.

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

5 A. Malik, H. K. Kashyap:
"Solvation Shell Structures of Ammonia in Reline and Ethaline Deep Eutectic Solvents"
J. Phys. Chem. B 2023, 127 (11), 2499–2510.     (DOI 10.1021/acs.jpcb.2c07929 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, Spec.
4 A. Malik, H. K. Kashyap:
"Solvent Organization around Methane Dissolved in Archetypal Reline and Ethaline Deep Eutectic Solvents As Revealed by AIMD Investigation"
J. Phys. Chem. B 2022, 126 (34), 6472–6482.     (DOI 10.1021/acs.jpcb.2c02406 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Spec.
3 A. Gupta, S. Kaur, H. K. Kashyap:
"How Water Permutes the Structural Organization and Microscopic Dynamics of Cholinium Glycinate Biocompatible Ionic Liquid"
J. Phys. Chem. B 2019, 123 (9), 2057–2069.     (DOI 10.1021/acs.jpcb.8b10235 ) ⭳ Bib
Uses TRAVIS for SDF.
2 S. Agrawal, H. K. Kashyap:
"Structures of Binary Mixtures of Ionic Liquid 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide with Primary Alcohols: The Role of Hydrogen-Bonding"
J. Mol. Liq. 2018, 261, 337–349.     (DOI 10.1016/j.molliq.2018.03.124 ) ⭳ Bib
Uses TRAVIS for SDF.
1 P. Kumari, Shobhna, S. Kaur, H. K. Kashyap:
"Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study"
ACS Omega 2018, 3 (11), 15246–15255.     (DOI 10.1021/acsomega.8b02447 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Kashyap, H. K.”. Show all citations.

Go to Article List, go to Journal List.

7 different authors contributed to the 5 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
5(show)Kashyap, H. K.
2(show)Kaur, S.
2(show)Malik, A.
1(show)Agrawal, S.
1(show)Gupta, A.
1(show)Kumari, P.

— Journal List —

Only showing results by author “Kashyap, H. K.”. Show all citations.

Go to Article List, go to Author List.

The 5 articles shown above were published in 3 different journals.

CitationsJournal Name
3(show)J. Phys. Chem. B
1(show)ACS Omega
1(show)J. Mol. Liq.