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 “Schaeffer, N.”. Show all citations.

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

8 A. P. S. Crema, N. Schaeffer, H. Bastos, L. P. Silva, D. O. Abranches, H. Passos, M. C. Hespanhol, J. A. P. Coutinho:
"New Family of Type V Eutectic Solvents Based on 1,10-Phenanthroline and Their Application in Metal Extraction"
Hydrometallurgy 2023, 215, 105971.     (DOI 10.1016/j.hydromet.2022.105971 ) ⭳ Bib
Uses TRAVIS for Domain.
7 S. J. R. Vargas, G. Pérez-Sánchez, N. Schaeffer, J. A. P. Coutinho:
"Solvent Extraction in Extended Hydrogen Bonded Fluids – Separation of Pt(IV) from Pd(II) Using Topo-Based Type V DES"
Green Chem. 2021, 23 (12), 4540–4550.     (DOI 10.1039/D1GC00829C ) ⭳ Bib
Uses TRAVIS for Domain.
6 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.
5 H. Bastos, R. Bento, N. Schaeffer, J. A. P. Coutinho, G. Pérez-Sánchez:
"Using Coarse-Grained Molecular Dynamics to Rationalize Biomolecule Solubilization Mechanisms in Ionic Liquid-Based Colloidal Systems"
Phys. Chem. Chem. Phys. 2020, 22 (42), 24771–24783.     (DOI 10.1039/D0CP04942E ) ⭳ Bib
Uses TRAVIS for SDF.
4 S. J. R. Vargas, H. Passos, N. Schaeffer, J. A. P. Coutinho:
"Integrated Leaching and Separation of Metals Using Mixtures of Organic Acids and Ionic Liquids"
Molecules 2020, 25 (23), 5570.     (DOI 10.3390/molecules25235570 ) ⭳ Bib
Uses TRAVIS for SDF, Domain.
3 E. A. Crespo, N. Schaeffer, J. A. P. Coutinho, G. Pérez-Sánchez:
"Improved Coarse-Grain Model to Unravel the Phase Behavior of 1-Alkyl-3-Methylimidazolium-Based Ionic Liquids through Molecular Dynamics Simulations"
J. Colloid Interface Sci. 2020, 574, 324–336.     (DOI 10.1016/j.jcis.2020.04.063 ) ⭳ Bib
Uses TRAVIS for SDF.
2 N. Schaeffer, G. Pérez-Sánchez, H. Passos, J. R. B. Gomes, N. Papaiconomou, J. A. P. Coutinho:
"Mechanisms of Phase Separation in Temperature-Responsive Acidic Aqueous Biphasic Systems"
Phys. Chem. Chem. Phys. 2019, 21 (14), 7462–7473.     (DOI 10.1039/C8CP07750A ) ⭳ Bib
Uses TRAVIS for SDF.
1 D. O. Abranches, N. Schaeffer, L. P. Silva, M. A. R. Martins, S. P. Pinho, J. A. P. Coutinho:
"The Role of Charge Transfer in the Formation of Type I Deep Eutectic Solvent-Analogous Ionic Liquid Mixtures"
Molecules 2019, 24 (20), 3687.     (DOI 10.3390/molecules24203687 ) ⭳ Bib
Uses TRAVIS for SDF, Domain.

— Author List —

Only showing results by author “Schaeffer, N.”. Show all citations.

Go to Article List, go to Journal List.

22 different authors contributed to the 8 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
8(show)Coutinho, J. A. P.
8(show)Schaeffer, N.
4(show)Pérez-Sánchez, G.
3(show)Abranches, D. O.
3(show)Passos, H.
3(show)Silva, L. P.
2(show)Bastos, H.
2(show)Martins, M. A. R.
2(show)Vargas, S. J. R.
1(show)Bento, R.
1(show)Carvalho, P. J.
1(show)Crema, A. P. S.
1(show)Crespo, E. A.
1(show)Gomes, J. R. B.
1(show)Guinet, Y.
1(show)Hedoux, A.
1(show)Hespanhol, M. C.
1(show)Paccou, L.
1(show)Papaiconomou, N.
1(show)Pinho, S. P.
1(show)Russina, O.
1(show)Triolo, A.

— Journal List —

Only showing results by author “Schaeffer, N.”. Show all citations.

Go to Article List, go to Author List.

The 8 articles shown above were published in 6 different journals.

CitationsJournal Name
2(show)Phys. Chem. Chem. Phys.
1(show)ACS Sustainable Chem. Eng.
1(show)Green Chem.
1(show)J. Colloid Interface Sci.