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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 “Puglisi, A.”. Show all citations.

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3 citations match the query.  Show continuous list view.

— 2019 —

3 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.
2 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
Uses TRAVIS for RDF, SDF.
1 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.


— Author List —

Only showing results by author “Puglisi, A.”. Show all citations.

Go to Article List, go to Journal List.

10 different authors contributed to the 3 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
3(show)Cappelli, C.
3(show)Giovannini, T.
3(show)Puglisi, A.
2(show)Ambrosetti, M.
1(show)Antonov, L.
1(show)Egidi, F.
1(show)Gerfo, G. L.
1(show)Lafiosca, P.
1(show)Macchiagodena, M.
1(show)Riso, R. R.

— Journal List —

Only showing results by author “Puglisi, A.”. Show all citations.

Go to Article List, go to Author List.

The 3 articles shown above were published in 3 different journals.

CitationsJournal Name
1(show)Int. J. Quantum Chem.
1(show)J. Chem. Phys.
1(show)Phys. Chem. Chem. Phys.