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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 “Bodo, E.”. Show all citations.

Go to Author List, go to Journal List.

10 citations match the query.  Show continuous list view.

— 2021 —

10 A. Mariani, L. Engelbrecht, A. L. Donne, F. Mocci, E. Bodo, S. Passerini:
"Disclosing the Hierarchical Structure of Ionic Liquid Mixtures by Multiscale Computational Methods"
Theoretical and Computational Approaches to Predicting Ionic Liquid Properties 2021, 1–67.     (DOI 10.1016/B978-0-12-820280-7.00014-0 ) ⭳ Bib
Uses TRAVIS.

— 2019 —

9 D. Corinti, A. Maccelli, B. Chiavarino, P. Maitre, D. Scuderi, E. Bodo, S. Fornarini, M. E. Crestoni:
"Vibrational Signatures of Curcumin’s Chelation in Copper(II) Complexes: An Appraisal by IRMPD Spectroscopy"
J. Chem. Phys. 2019, 150 (16), 165101.     (DOI 10.1063/1.5086666 ) ⭳ Bib
Uses TRAVIS.

— 2017 —

8 M. Campetella, M. Montagna, L. Gontrani, E. Scarpellini, E. Bodo:
"Unexpected Proton Mobility in the Bulk Phase of Cholinium-Based Ionic Liquids: New Insights from Theoretical Calculations"
Phys. Chem. Chem. Phys. 2017, 19 (19), 11869–11880.     (DOI 10.1039/C7CP01050H ) ⭳ Bib
Uses TRAVIS for RDF, SFac.

— 2016 —

7 M. Campetella, E. Bodo, M. Montagna, S. D. Santis, L. Gontrani:
"Theoretical Study of Ionic Liquids Based on the Cholinium Cation. Ab initio Simulations of their Condensed Phases"
J. Chem. Phys. 2016, 144 (10), 104504.     (DOI 10.1063/1.4943197 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
6 D. Scuderi, E. Bodo, B. Chiavarino, S. Fornarini, M. E. Crestoni:
"Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations"
Chem. Eur. J 2016, 22 (48), 17239–17250.     (DOI 10.1002/chem.201603298 ) ⭳ Bib
Uses TRAVIS for RDF, Power.

— 2015 —

5 M. Campetella, E. Bodo, R. Caminiti, A. Martino, F. D’Apuzzo, S. Lupi, L. Gontrani:
"Interaction and Dynamics of Ionic Liquids Based on Choline and Amino Acid Anions"
J. Chem. Phys. 2015, 142 (23), 234502.     (DOI 10.1063/1.4922442 ) ⭳ Bib
Uses TRAVIS for SDF, Spec.
4 E. Bodo:
"Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of their Coordination Shell"
J. Phys. Chem. B 2015, 119 (35), 11833–11838.     (DOI 10.1021/acs.jpcb.5b06387 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF.

— 2014 —

3 E. Bodo, S. Mangialardo, F. Capitani, L. Gontrani, F. Leonelli, P. Postorino:
"Interaction of a Long Alkyl Chain Protic Ionic Liquid and Water"
J. Chem. Phys. 2014, 140 (20), 204503.     (DOI 10.1063/1.4876036 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.

— 2013 —

2 M. Campetella, L. Gontrani, E. Bodo, F. Ceccacci, F. C. Marincola, R. Caminiti:
"Conformational Isomerisms and Nano-Aggregation in Substituted Alkylammonium Nitrates Ionic Liquids: An X-Ray and Computational Study of 2-Methoxyethylammonium Nitrate"
J. Chem. Phys. 2013, 138 (18), 184506.     (DOI 10.1063/1.4803799 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SFac.
1 E. Bodo, A. Sferrazza, R. Caminiti, S. Mangialardo, P. Postorino:
"A Prototypical Ionic Liquid Explored by ab initio Molecular Dynamics and Raman Spectroscopy"
J. Chem. Phys. 2013, 139 (14), 144309.     (DOI 10.1063/1.4823824 ) ⭳ Bib
Uses TRAVIS for SDF.


— Author List —

Only showing results by author “Bodo, E.”. Show all citations.

Go to Article List, go to Journal List.

29 different authors contributed to the 10 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
10(show)Bodo, E.
5(show)Gontrani, L.
4(show)Campetella, M.
3(show)Caminiti, R.
2(show)Chiavarino, B.
2(show)Crestoni, M. E.
2(show)Fornarini, S.
2(show)Mangialardo, S.
2(show)Montagna, M.
2(show)Postorino, P.
2(show)Scuderi, D.
1(show)Capitani, F.
1(show)Ceccacci, F.
1(show)Corinti, D.
1(show)Donne, A. L.
1(show)D’Apuzzo, F.
1(show)Engelbrecht, L.
1(show)Leonelli, F.
1(show)Lupi, S.
1(show)Maccelli, A.
1(show)Maitre, P.
1(show)Mariani, A.
1(show)Marincola, F. C.
1(show)Martino, A.
1(show)Mocci, F.
1(show)Passerini, S.
1(show)Santis, S. D.
1(show)Scarpellini, E.
1(show)Sferrazza, A.

— Journal List —

Only showing results by author “Bodo, E.”. Show all citations.

Go to Article List, go to Author List.

The 10 articles shown above were published in 5 different journals.

CitationsJournal Name
6(show)J. Chem. Phys.
1(show)Chem. Eur. J
1(show)J. Phys. Chem. B
1(show)Phys. Chem. Chem. Phys.
1(show)Theoretical and Computational Approaches to Predicting Ionic Liquid Properties