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 “Giovannini, T.”. Show all citations.

Go to Author List, go to Journal List.

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

9 S. Gómez, N. Rojas-Valencia, T. Giovannini, A. Restrepo, C. Cappelli:
"Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution As Revealed by Resonance Raman"
Molecules 2022, 27 (2), 442.     (DOI 10.3390/molecules27020442 ) ⭳ Bib
8 S. Gómez, F. Egidi, A. Puglisi, T. Giovannini, B. Rossi, C. Cappelli:
"Unlocking the Power of Resonance Raman Spectroscopy: The Case of Amides in Aqueous Solution"
J. Mol. Liq. 2022, 346, 117841.     (DOI 10.1016/j.molliq.2021.117841 ) ⭳ Bib
7 L. Uribe, S. Gómez, T. Giovannini, F. Egidi, A. Restrepo:
"An Efficient and Robust Procedure to Calculate Absorption Spectra of Aqueous Charged Species Applied to NO2-"
Phys. Chem. Chem. Phys. 2021, 23 (27), 14857–14872.     (DOI 10.1039/D1CP00652E ) ⭳ Bib
6 S. Skoko, M. Ambrosetti, T. Giovannini, C. Cappelli:
"Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study"
Molecules 2020, 25 (24), 5853.     (DOI 10.3390/molecules25245853 ) ⭳ Bib
Uses TRAVIS for RDF.
5 T. Giovannini, M. Macchiagodena, M. Ambrosetti, A. Puglisi, P. Lafiosca, G. L. Gerfo, F. Egidi, C. Cappelli:
"Simulating Vertical Excitation Energies of Solvated Dyes: From Continuum to Polarizable Discrete Modeling"
Int. J. Quantum Chem. 2019, 119 (1), e25684.     (DOI 10.1002/qua.25684 ) ⭳ Bib
Uses TRAVIS for RDF.
4 A. Puglisi, T. Giovannini, L. Antonov, C. Cappelli:
"Interplay between Conformational and Solvent Effects in UV-Visible Absorption Spectra: Curcumin Tautomers as a Case Study"
Phys. Chem. Chem. Phys. 2019, 21 (28), 15504–15514.     (DOI 10.1039/C9CP00907H ) ⭳ Bib
3 T. Giovannini, R. R. Riso, M. Ambrosetti, A. Puglisi, C. Cappelli:
"Electronic Transitions for a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles: Linear and Corrected Linear Response Regimes"
J. Chem. Phys. 2019, 151 (17), 174104.     (DOI 10.1063/1.5121396 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
2 R. D. Remigio, T. Giovannini, M. Ambrosetti, C. Cappelli, L. Frediani:
"Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions"
J. Chem. Theory Comput. 2019, 15 (7), 4056–4068.     (DOI 10.1021/acs.jctc.9b00305 ) ⭳ Bib
Uses TRAVIS for RDF.
1 T. Giovannini, M. Ambrosetti, C. Cappelli:
"A Polarizable Embedding Approach to Second Harmonic Generation (SHG) of Molecular Systems in Aqueous Solutions"
Theor. Chem. Acc. 2018, 137 (6), 74.     (DOI 10.1007/s00214-018-2247-7 ) ⭳ Bib

— Author List —

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

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18 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Giovannini, T.
8(show)Cappelli, C.
5(show)Ambrosetti, M.
4(show)Puglisi, A.
3(show)Gómez, S.
3(show)Egidi, F.
2(show)Restrepo, A.
1(show)Antonov, L.
1(show)Frediani, L.
1(show)Gerfo, G. L.
1(show)Lafiosca, P.
1(show)Macchiagodena, M.
1(show)Remigio, R. D.
1(show)Riso, R. R.
1(show)Rojas-Valencia, N.
1(show)Rossi, B.
1(show)Skoko, S.
1(show)Uribe, L.

— Journal List —

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

Go to Article List, go to Author List.

The 9 articles shown above were published in 7 different journals.

CitationsJournal Name
2(show)Phys. Chem. Chem. Phys.
1(show)Int. J. Quantum Chem.
1(show)J. Chem. Phys.
1(show)J. Chem. Theory Comput.
1(show)J. Mol. Liq.
1(show)Theor. Chem. Acc.