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 in journal “ACS Sustainable Chem. Eng.”. Show all citations.

Go to Author List, go to Journal List.

11 citations match the query.  Show continuous list view.

— 2023 —

11 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.

— 2022 —

10 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
9 M. Busato, G. Mannucci, V. D. Lisio, A. Martinelli, A. D. Giudice, A. Tofoni, C. D. Bosco, V. Migliorati, A. Gentili, P. D’Angelo:
"Structural Study of a Eutectic Solvent Reveals Hydrophobic Segregation and Lack of Hydrogen Bonding between the Components"
ACS Sustainable Chem. Eng. 2022, 10 (19), 6337–6345.     (DOI 10.1021/acssuschemeng.2c00920 ) ⭳ Bib
8 M. Mohan, K. L. Sale, R. S. Kalb, B. A. Simmons, J. M. Gladden, S. Singh:
"Multiscale Molecular Simulation Strategies for Understanding the Delignification Mechanism of Biomass in Cyrene"
ACS Sustainable Chem. Eng. 2022, 10 (33), 11016–11029.     (DOI 10.1021/acssuschemeng.2c03373 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Aggr.
7 S. Asensio-Delgado, M. Viar, A. A. H. Pádua, G. Zarca, A. Urtiaga:
"Understanding the Molecular Features Controlling the Solubility Differences of R-134a, R-1234ze(E), and R-1234yf in 1-Alkyl-3-methylimidazolium Tricyanomethanide Ionic Liquids"
ACS Sustainable Chem. Eng. 2022, 10 (46), 15124–15134.     (DOI 10.1021/acssuschemeng.2c04561 ) ⭳ Bib
6 L. Liu, B. Su, Q. Wei, X. Ren:
"Separation of Lactic Acid Based on Amide-Based Hydrophobic Deep Eutectic Solvents: Insights from Experiments and Molecular Dynamics Simulations"
ACS Sustainable Chem. Eng. 2022, 10 (47), 15589–15598.     (DOI 10.1021/acssuschemeng.2c05079 ) ⭳ Bib

— 2021 —

5 N. Schaeffer, D. O. Abranches, L. P. Silva, M. A. R. Martins, P. J. Carvalho, O. Russina, A. Triolo, L. Paccou, Y. Guinet, A. Hedoux, J. A. P. Coutinho:
"Non-ideality in Thymol + Menthol Type V Deep Eutectic Solvents"
ACS Sustainable Chem. Eng. 2021, 9 (5), 2203–2211.     (DOI 10.1021/acssuschemeng.0c07874 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2019 —

4 S. M. Melnikov, M. Stein:
"Solvation and Dynamics of CO2 in Aqueous Alkanolamine Solutions"
ACS Sustainable Chem. Eng. 2019, 7 (1), 1028–1037.     (DOI 10.1021/acssuschemeng.8b04666 ) ⭳ Bib
Uses TRAVIS for SDF.
3 O. Hollóczki:
"Toward Anionic Structural Diffusion and Highly Conducting Ionic Liquid Electrolytes"
ACS Sustainable Chem. Eng. 2019, 7 (2), 2626–2633.     (DOI 10.1021/acssuschemeng.8b05668 ) ⭳ Bib
Uses TRAVIS for RDF.
2 M. B. Vraneš, J. J. Panić, A. S. Tot, S. M. Ostojić, D. D. Četojević-Simin, N. Ž. Janković, S. B. Gadžurić:
"Synthesis and Thermophysical Characterization of New Biologically Friendly Agmatine-Based Ionic Liquids and Salts by Experimental and Computational Approach"
ACS Sustainable Chem. Eng. 2019, 7 (12), 10773–10783.     (DOI 10.1021/acssuschemeng.9b01515 ) ⭳ Bib
Uses TRAVIS for RDF, NI.

— 2018 —

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 in journal “ACS Sustainable Chem. Eng.”. Show all citations.

Go to Article List, go to Journal List.

51 different authors contributed to the 11 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
3(show)Banerjee, T.
2(show)Mohan, M.
2(show)Paul, N.
1(show)Abranches, D. O.
1(show)Asensio-Delgado, S.
1(show)Bosco, C. D.
1(show)Busato, M.
1(show)Carvalho, P. J.
1(show)Četojević-Simin, D. D.
1(show)Coutinho, J. A. P.
1(show)D’Angelo, P.
1(show)Gadžurić, S. B.
1(show)Gladden, J. M.
1(show)Goud, V. V.
1(show)Guinet, Y.
1(show)Harish, G.
1(show)Hollóczki, O.
1(show)Gentili, A.
1(show)Giudice, A. D.
1(show)Hedoux, A.
1(show)Janković, N. Ž.
1(show)Kalb, R. S.
1(show)Lisio, V. D.
1(show)Liu, L.
1(show)Mannucci, G.
1(show)Martinelli, A.
1(show)Martins, M. A. R.
1(show)Melnikov, S. M.
1(show)Migliorati, V.
1(show)Ostojić, S. M.
1(show)Paccou, L.
1(show)Pádua, A. A. H.
1(show)Panić, J. J.
1(show)Ren, X.
1(show)Russina, O.
1(show)Sale, K. L.
1(show)Schaeffer, N.
1(show)Silva, L. P.
1(show)Simmons, B. A.
1(show)Singh, S.
1(show)Stein, M.
1(show)Su, B.
1(show)Tofoni, A.
1(show)Tot, A. S.
1(show)Triolo, A.
1(show)Urtiaga, A.
1(show)Verma, R.
1(show)Viar, M.
1(show)Vraneš, M. B.
1(show)Wei, Q.
1(show)Zarca, G.

— Journal List —

Only showing results in journal “ACS Sustainable Chem. Eng.”. Show all citations.

Go to Article List, go to Author List.

The 11 articles shown above were published in 1 different journals.

CitationsJournal Name
11(show)ACS Sustainable Chem. Eng.