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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

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 “Kapoor, U.”. Show all citations.

Go to Author List, go to Journal List.

7 citations match the query.  Show continuous list view.

— 2020 —

7 U. Kapoor, J. K. Shah:
"Macroscopic Differentiators for Microscopic Structural Nonideality in Binary Ionic Liquid Mixtures"
J. Phys. Chem. B 2020, 124 (36), 7849–7856.     (DOI 10.1021/acs.jpcb.0c03740 ) ⭳ Bib
Uses TRAVIS for SDF.
6 U. Kapoor, A. Jayaraman:
"Self-Assembly of Allomelanin Dimers and the Impact of Poly(Ethylene Glycol) on the Assembly: A Molecular Dynamics Simulation Study"
J. Phys. Chem. B 2020, 124 (13), 2702–2714.     (DOI 10.1021/acs.jpcb.0c00226 ) ⭳ Bib
Uses TRAVIS for Voro, Domain.

— 2019 —

5 T. Cosby, U. Kapoor, J. K. Shah, J. Sangoro:
"Mesoscale Organization and Dynamics in Binary Ionic Liquid Mixtures"
J. Phys. Chem. Lett. 2019, 10 (20), 6274–6280.     (DOI 10.1021/acs.jpclett.9b02478 ) ⭳ Bib
Uses TRAVIS for Domain.

— 2018 —

4 U. Kapoor, J. K. Shah:
"Effect of Molecular Solvents of Varying Polarity on the Self-Assembly of 1-n-Dodecyl-3-methylimidazolium Octylsulfate Ionic Liquid"
J. Theor. Comput. Chem. 2018, 17 (03), 1840004.     (DOI 10.1142/S0219633618400047 ) ⭳ Bib
Uses TRAVIS for RDF, Domain.
3 U. Kapoor, J. K. Shah:
"Globular, Sponge-Like to Layer-Like Morphological Transition in 1-n-Alkyl-3-methylimidazolium Octylsulfate Ionic Liquid Homologous Series"
J. Phys. Chem. B 2018, 122 (1), 213–228.     (DOI 10.1021/acs.jpcb.7b08397 ) ⭳ Bib
Uses TRAVIS for RDF, SFac, Domain.
2 U. Kapoor, J. K. Shah:
"Molecular Origins of the Apparent Ideal CO2 Solubilities in Binary Ionic Liquid Mixtures"
J. Phys. Chem. B 2018, 122 (42), 9763–9774.     (DOI 10.1021/acs.jpcb.8b08223 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF.

— 2016 —

1 U. Kapoor, J. K. Shah:
"Preferential Ionic Interactions and Microscopic Structural Changes Drive Nonideality in Binary Ionic Liquid Mixtures as Revealed from Molecular Simulations"
Ind. Eng. Chem. Res. 2016, 55 (51), 13132–13146.     (DOI 10.1021/acs.iecr.6b03314 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Aggr, MSD.


— Author List —

Only showing results by author “Kapoor, U.”. Show all citations.

Go to Article List, go to Journal List.

5 different authors contributed to the 7 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
7(show)Kapoor, U.
6(show)Shah, J. K.
1(show)Cosby, T.
1(show)Jayaraman, A.
1(show)Sangoro, J.

— Journal List —

Only showing results by author “Kapoor, U.”. Show all citations.

Go to Article List, go to Author List.

The 7 articles shown above were published in 4 different journals.

CitationsJournal Name
4(show)J. Phys. Chem. B
1(show)Ind. Eng. Chem. Res.
1(show)J. Phys. Chem. Lett.
1(show) J. Theor. Comput. Chem.