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 “Lo Celso, F.”. Show all citations.

Go to Author List, go to Journal List.

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

17 A. Triolo, V. V. Chaban, F. Lo Celso, F. Leonelli, M. Vogel, E. Steinrücken, A. D. Giudice, C. Ottaviani, J. A. Kenar, O. Russina:
"Oleochemical Carbonates: A Comprehensive Characterization of an Emerging Class of Organic Compounds"
J. Mol. Liq. 2023, 369, 120854.     (DOI 10.1016/j.molliq.2022.120854 ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, SFac, MSD.
16 A. Triolo, F. Lo Celso, O. Russina:
"Liquid Structure of a Water-Based, Hydrophobic and Natural Deep Eutectic Solvent: The Case of Thymol-Water. A Molecular Dynamics Study"
J. Mol. Liq. 2023, 372, 121151.     (DOI 10.1016/j.molliq.2022.121151 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac, CMat.
15 A. Triolo, F. Lo Celso, J. Perez, O. Russina:
"Solubility and Solvation Features of Native Cyclodextrins in 1-Ethyl-3-methylimidazolium Acetate"
Carbohydr. Polym. 2022, 291, 119622.     (DOI 10.1016/j.carbpol.2022.119622 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Sankey.
14 F. Lo Celso, G. Barone, L. Maiuolo, V. Algieri, C. Cretu, P. Calandra:
"Dissolution of Nitrones in Alkylphosphates: A Structural Study"
J. Mol. Liq. 2022, 367, 120517.     (DOI 10.1016/j.molliq.2022.120517 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
13 A. Triolo, A. Paolone, A. Sarra, F. Trequattrini, O. Palumbo, G. BattistaAppetecchi, F. Lo Celso, P. Chater, O. Russina:
"Structure and Vibrational Features of the Protic Ionic Liquid 1,8-Diazabicyclo[5.4.0]-undec-7-ene-8-ium Bis(trifluoromethanesulfonyl)amide, [DBUH][TFSI]"
J. Mol. Liq. 2022, 347, 117981.     (DOI 10.1016/j.molliq.2021.117981 ) ⭳ Bib
12 A. Triolo, V. D. Lisio, F. Lo Celso, G. B. Appetecchi, B. Fazio, P. Chater, A. Martinelli, F. Sciubba, O. Russina:
"Liquid Structure of a Water-in-Salt Electrolyte with a Remarkably Asymmetric Anion"
J. Phys. Chem. B 2021, 125 (45), 12500–12517.     (DOI 10.1021/acs.jpcb.1c06759 ) ⭳ Bib
Uses TRAVIS for RDF.
11 A. Triolo, M. E. D. Pietro, A. Mele, F. Lo Celso, M. Brehm, V. D. Lisio, A. Martinelli, P. Chater, O. Russina:
"Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent"
J. Chem. Phys. 2021, 154 (24), 244501.     (DOI 10.1063/5.0054048 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac, Sankey.
10 A. Triolo, F. Lo Celso, M. Brehm, V. D. Lisio, O. Russina:
"Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization"
J. Mol. Liq. 2021, 156, 115750.     (DOI 10.1016/j.molliq.2021.115750 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac.
9 A. Triolo, F. Lo Celso, N. V. Plechkova, F. Leonelli, S. Gärtner, D. S. Keeble, O. Russina:
"Structure of Anisole Derivatives by Total Neutron and X-Ray Scattering: Evidences of Weak C H⋯O and C H⋯π Interactions in the Liquid State"
J. Mol. Liq. 2020, 314, 113795.     (DOI 10.1016/j.molliq.2020.113795 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac.
8 A. Triolo, F. Lo Celso, O. Russina:
"Structural Features of β-Cyclodextrin Solvation in the Deep Eutectic Solvent, Reline"
J. Phys. Chem. B 2020, 124 (13), 2652–2660.     (DOI 10.1021/acs.jpcb.0c00876 ) ⭳ Bib
7 F. Lo Celso, G. B. Appetecchi, E. Simonetti, M. Zhao, E. W. Castner, U. Keiderling, L. Gontrani, A. Triolo, O. Russina:
"Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids"
Front. Chem. 2019, 7, 285.     (DOI 10.3389/fchem.2019.00285 ) ⭳ Bib
6 F. Lo Celso, G. B. Appetecchi, E. Simonetti, U. Keiderling, L. Gontrani, A. Triolo, O. Russina:
"Mesoscopic Structural Organization in Fluorinated Pyrrolidinium-Based Room Temperature Ionic Liquids"
J. Mol. Liq. 2019, 289, 111110.     (DOI 10.1016/j.molliq.2019.111110 ) ⭳ Bib
5 A. Triolo, F. Lo Celso, C. Ottaviani, P. Ji, G. B. Appetecchi, F. Leonelli, D. S. Keeble, O. Russina:
"Structural Features of Selected Protic Ionic Liquids Based on a Super-Strong Base"
Phys. Chem. Chem. Phys. 2019, 21 (45), 25369–25378.     (DOI 10.1039/C9CP03927A ) ⭳ Bib
4 F. Lo Celso, G. B. Appetecchi, C. J. Jafta, L. Gontrani, J. N. C. Lopes, A. Triolo, O. Russina:
"Nanoscale Organization in the Fluorinated Room Temperature Ionic Liquid: Tetraethyl Ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide"
J. Chem. Phys. 2018, 148 (19), 193816.     (DOI 10.1063/1.5016236 ) ⭳ Bib
3 F. Lo Celso, Y. Yoshida, R. Lombardo, C. J. Jafta, L. Gontrani, A. Triolo, O. Russina:
"Mesoscopic Structural Organization in Fluorinated Room Temperature Ionic Liquids"
C. R. Chim. 2018, 21 (8), 757–770.     (DOI 10.1016/j.crci.2018.02.001 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac.
2 F. Lo Celso, B. Aoun, A. Triolo, O. Russina:
"Liquid Structure of Dibutyl Sulfoxide"
Phys. Chem. Chem. Phys. 2016, 18 (23), 15980–15987.     (DOI 10.1039/C6CP02335E ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, SFac, MSD, RDyn.
1 O. Russina, F. Lo Celso, A. Triolo:
"Pressure-Responsive Mesoscopic Structures in Room Temperature Ionic Liquids"
Phys. Chem. Chem. Phys. 2015, 17 (44), 29496–29500.     (DOI 10.1039/C5CP04682C ) ⭳ Bib
Uses TRAVIS for CDF, SFac.

— Author List —

Only showing results by author “Lo Celso, F.”. Show all citations.

Go to Article List, go to Journal List.

44 different authors contributed to the 17 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
17(show)Lo Celso, F.
16(show)Russina, O.
16(show)Triolo, A.
5(show)Appetecchi, G. B.
4(show)Gontrani, L.
3(show)Chater, P.
3(show)Leonelli, F.
3(show)Lisio, V. D.
2(show)Brehm, M.
2(show)Jafta, C. J.
2(show)Keeble, D. S.
2(show)Keiderling, U.
2(show)Martinelli, A.
2(show)Ottaviani, C.
2(show)Simonetti, E.
1(show)Algieri, V.
1(show)Aoun, B.
1(show)Barone, G.
1(show)BattistaAppetecchi, G.
1(show)Calandra, P.
1(show)Castner, E. W.
1(show)Chaban, V. V.
1(show)Cretu, C.
1(show)Fazio, B.
1(show)Gärtner, S.
1(show)Giudice, A. D.
1(show)Ji, P.
1(show)Kenar, J. A.
1(show)Lombardo, R.
1(show)Lopes, J. N. C.
1(show)Maiuolo, L.
1(show)Mele, A.
1(show)Palumbo, O.
1(show)Paolone, A.
1(show)Perez, J.
1(show)Pietro, M. E. D.
1(show)Plechkova, N. V.
1(show)Sarra, A.
1(show)Sciubba, F.
1(show)Steinrücken, E.
1(show)Trequattrini, F.
1(show)Vogel, M.
1(show)Yoshida, Y.
1(show)Zhao, M.

— Journal List —

Only showing results by author “Lo Celso, F.”. Show all citations.

Go to Article List, go to Author List.

The 17 articles shown above were published in 7 different journals.

CitationsJournal Name
7(show)J. Mol. Liq.
3(show)Phys. Chem. Chem. Phys.
2(show)J. Chem. Phys.
2(show)J. Phys. Chem. B
1(show)C. R. Chim.
1(show)Carbohydr. Polym.
1(show)Front. Chem.