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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).

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 “Biswas, A.”. Show all citations.

Go to Author List, go to Journal List.

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

11 A. Biswas, B. S. Mallik:
"Direct Correlation between Short-Range Vibrational Spectral Diffusion and Localized Ion-Cage Dynamics of Water-in-Salt Electrolytes"
J. Phys. Chem. B 2023, 127 (1), 236–248.     (DOI 10.1021/acs.jpcb.2c04391 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Aggr.
10 A. Biswas, B. S. Mallik:
"Multiple Ensembles of the Hydrogen-Bonded Network in Ethylammonium Nitrate versus Water from Vibrational Spectral Dynamics of SCN-Probe"
ChemPhysChem 2022, 23 (23), e202200497.     (DOI 10.1002/cphc.202200497 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF.
9 A. Biswas, B. S. Mallik:
"Microheterogeneity-Induced Vibrational Spectral Dynamics of Aqueous 1-Alkyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids of Different Cationic Chain Lengths"
J. Phys. Chem. B 2022, 126 (29), 5523–5533.     (DOI 10.1021/acs.jpcb.2c03561 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Domain.
8 A. Biswas, B. S. Mallik:
"Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic N–H Vibrational Probe from FPMD Simulations"
J. Phys. Chem. A 2022, 126 (31), 5134–5147.     (DOI 10.1021/acs.jpca.2c03387 ) ⭳ Bib
Uses TRAVIS for SDF, CDF, Aggr, MSD.
7 A. Biswas, B. S. Mallik:
"Molecular Simulation-Guided Spectroscopy of Imidazolium-Based Ionic Liquids and Effects of Methylation on Ion-Cage and -Pair Dynamics"
J. Phys. Chem. B 2022, 126 (43), 8838–8850.     (DOI 10.1021/acs.jpcb.2c04901 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Aggr, MSD.
6 A. Biswas, B. S. Mallik:
"Vibrational Spectral Dynamics and Ion-Probe Interactions of the Hydrogen-Bonded Liquids in 1-Ethyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide"
Chem. Phys. 2022, 62, 111519.     (DOI 10.1016/j.chemphys.2022.111519 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF.
5 A. Biswas, B. S. Mallik:
"Dynamics of Ionic Liquid through Intrinsic Vibrational Probes Using the Dispersion-Corrected DFT Functionals"
J. Phys. Chem. B 2021, 125 (25), 6994–7008.     (DOI 10.1021/acs.jpcb.1c04960 ) ⭳ Bib
Uses TRAVIS for CDF.
4 A. Biswas, B. S. Mallik:
"Conformational Dynamics of Aqueous Hydrogen Peroxide from First Principles Molecular Dynamics Simulations"
Phys. Chem. Chem. Phys. 2020, 22, 28286–28296.     (DOI 10.1039/D0CP05451H ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
3 A. Biswas, B. S. Mallik:
"Distinctive Behavior and Two-Dimensional Vibrational Dynamics of Water Molecules inside Glycine Solvation Shell"
RSC Adv. 2020, 10 (11), 6658–6670.     (DOI 10.1039/C9RA10521B ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
2 A. Biswas, B. S. Mallik:
"Structure and Stretching Dynamics of Water Molecules around an Amphiphilic Amide from FPMD Simulations: A Case Study of N,N-Dimethylformamide"
J. Mol. Liq. 2020, 302, 112524.     (DOI 10.1016/j.molliq.2020.112524 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
1 A. Biswas, A. Priyadarsini, B. S. Mallik:
"Dynamics and Spectral Response of Water Molecules around Tetramethylammonium Cation"
J. Phys. Chem. B 2019, 123 (41), 8753–8766.     (DOI 10.1021/acs.jpcb.9b05466 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.

— Author List —

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

Go to Article List, go to Journal List.

3 different authors contributed to the 11 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
11(show)Biswas, A.
11(show)Mallik, B. S.
1(show)Priyadarsini, A.

— Journal List —

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

Go to Article List, go to Author List.

The 11 articles shown above were published in 7 different journals.

CitationsJournal Name
5(show)J. Phys. Chem. B
1(show)Chem. Phys.
1(show)ChemPhysChem
1(show)J. Mol. Liq.
1(show)J. Phys. Chem. A
1(show)Phys. Chem. Chem. Phys.
1(show)RSC Adv.