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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 “Banerjee, T.”. Show all citations.

Go to Author List, go to Journal List.

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

9 N. Paul, G. Harish, T. Banerjee:
"Stability Mechanism of Menthol and Fatty Acid Based Hydrophobic Eutectic Solvents: Insights from Nonbonded Interactions"
ACS Sustainable Chem. Eng. 2023, 11 (8), 3539–3556.     (DOI 10.1021/acssuschemeng.2c06137 ) ⭳ Bib
Uses TRAVIS for SDF.
8 M. Mohan, N. Kumar, V. V. Goud, B. A. Simmons, K. L. Sale, J. M. Gladden, S. Singh, T. Banerjee:
"Effect of Cosolvent on the Solubility of Glucose in Ionic Liquids: Experimental and Molecular Dynamics Simulations"
Fluid Phase Equilib. 2022, 562, 113559.     (DOI 10.1016/j.fluid.2022.113559 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF.
7 N. Paul, T. Banerjee:
"Study on the Extraction of Acetamiprid and Imidacloprid from an Aqueous Environment Using Menthol-Based Hydrophobic Eutectic Solvents: Quantum Chemical and Molecular Dynamics Insights"
ACS Sustainable Chem. Eng. 2022, 10 (13), 4227–4246.     (DOI 10.1021/acssuschemeng.2c00023 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
6 N. Kumar, P. K. Naik, T. Banerjee:
"Molecular Dynamic Insights into the Distinct Solvation Structures of Aromatic and Aliphatic Compounds in Monoethanolamine-Based Deep Eutectic Solvents"
J. Phys. Chem. B 2022, 126 (26), 4925–4938.     (DOI 10.1021/acs.jpcb.2c01735 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, MSD.
5 N. Kumar, P. K. Naik, T. Banerjee:
"Molecular Modeling Insights in the Extraction of Benzene from Hydrocarbon Stream Using Deep Eutectic Solvent"
J. Mol. Liq. 2020, 317, 113909.     (DOI 10.1016/j.molliq.2020.113909 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
4 N. Paul, P. K. Naik, B. D. Ribeiro, P. S. G. Pattader, I. M. Marrucho, T. Banerjee:
"Molecular Dynamics Insights and Water Stability of Hydrophobic Deep Eutectic Solvents Aided Extraction of Nitenpyram from an Aqueous Environment"
J. Phys. Chem. B 2020, 124 (34), 7405–7420.     (DOI 10.1021/acs.jpcb.0c03647 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
3 R. Biswas, P. Ghosh, T. Banerjee, S. M. Ali, A. K. S. Deb:
"Interfacial Behavior of Cs+, K+, Na+, and Rb+ Extraction in the Presence of Dibenzo-18-crown-6 from the Nitrobenzene–Water Biphasic System: Experimental, Quantum Chemical, and Molecular Dynamic Studies"
ACS Omega 2018, 3 (2), 1663–1674.     (DOI 10.1021/acsomega.7b01828 ) ⭳ Bib
Uses TRAVIS for SDF.
2 P. K. Naik, M. Mohan, T. Banerjee, S. Paul, V. V. Goud:
"Molecular Dynamic Simulations for the Extraction of Quinoline from Heptane in the Presence of a Low-cost Phosphonium-Based Deep Eutectic Solvent"
J. Phys. Chem. B 2018, 122 (14), 4006–4015.     (DOI 10.1021/acs.jpcb.7b10914 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
1 R. Verma, M. Mohan, V. V. Goud, T. Banerjee:
"Operational Strategies and Comprehensive Evaluation of Menthol Based Deep Eutectic Solvent for the Extraction of Lower Alcohols from Aqueous Media"
ACS Sustainable Chem. Eng. 2018, 6 (12), 16920–16932.     (DOI 10.1021/acssuschemeng.8b04255 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Banerjee, T.”. Show all citations.

Go to Article List, go to Journal List.

20 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Banerjee, T.
4(show)Naik, P. K.
3(show)Goud, V. V.
3(show)Kumar, N.
3(show)Mohan, M.
3(show)Paul, N.
1(show)Ali, S. M.
1(show)Biswas, R.
1(show)Deb, A. K. S.
1(show)Gladden, J. M.
1(show)Harish, G.
1(show)Ghosh, P.
1(show)Marrucho, I. M.
1(show)Pattader, P. S. G.
1(show)Paul, S.
1(show)Ribeiro, B. D.
1(show)Sale, K. L.
1(show)Simmons, B. A.
1(show)Singh, S.
1(show)Verma, R.

— Journal List —

Only showing results by author “Banerjee, T.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 5 different journals.

CitationsJournal Name
3(show)ACS Sustainable Chem. Eng.
3(show)J. Phys. Chem. B
1(show)ACS Omega
1(show)Fluid Phase Equilib.
1(show)J. Mol. Liq.