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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 “Campetella, M.”. Show all citations.

Go to Author List, go to Journal List.

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

15 F. Ramondo, L. Gontrani, M. Campetella:
"Coupled Hydroxyl and Ether Functionalisation in EAN Derivatives: The Effect of Hydrogen Bond Donor/Acceptor Groups on the Structural Heterogeneity Studied with X-Ray Diffractions and Fixed Charge/Polarizable Simulations"
Phys. Chem. Chem. Phys. 2019, 21 (21), 11464–11475.     (DOI 10.1039/C9CP00571D ) ⭳ Bib
Uses TRAVIS.
14 M. Campetella, A. Mariani, C. Sadun, B. Wu, E. W. Castner, L. Gontrani:
"Structure and Dynamics of Propylammonium Nitrate-Acetonitrile Mixtures: An Intricate Multi-Scale System Probed with Experimental and Theoretical Techniques"
J. Chem. Phys. 2018, 148 (13), 134507.     (DOI 10.1063/1.5021868 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
13 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.
12 L. Gontrani, E. Scarpellini, R. Caminiti, M. Campetella:
"Bio Ionic Liquids and Water Mixtures: A Structural Study"
RSC Adv. 2017, 7 (31), 19338–19344.     (DOI 10.1039/C6RA28545G ) ⭳ Bib
Uses TRAVIS for CDF, Aggr.
11 A. Mariani, M. Campetella, C. Fasolato, M. Daniele, F. Capitani, L. Bencivenni, P. Postorino, S. Lupi, R. Caminiti, L. Gontrani:
"A Joint Experimental and Computational Study on Ethylammonium Nitrate-Ethylene Glycol 1:1 Mixture. Structural, Kinetic, Dynamic and Spectroscopic Properties"
J. Mol. Liq. 2017, 226, 2–8.     (DOI 10.1016/j.molliq.2016.08.043 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, Aggr.
10 M. Campetella, M. Macchiagodena, L. Gontrani, B. Kirchner:
"Effect of Alkyl Chain Length in Protic Ionic Liquids: An AIMD Perspective"
Mol. Phys. 2017, 115 (13), 1582–1589.     (DOI 10.1080/00268976.2017.1308027 ) ⭳ Bib
Uses TRAVIS for NI, Aggr.
9 L. Gontrani, R. Caminiti, U. Salma, M. Campetella:
"A Structural and Theoretical Study of the Alkylammonium Nitrates Forefather: Liquid Methylammonium Nitrate"
Chem. Phys. Lett. 2017, 684, 304–309.     (DOI 10.1016/j.cplett.2017.07.017 ) ⭳ Bib
Uses TRAVIS for Aggr.
8 L. Gontrani, F. Leonelli, M. Campetella:
"An X-Ray and Computational Study of Liquid Pentylammonium Nitrate"
Chem. Phys. Lett. 2017, 687, 38–43.     (DOI 10.1016/j.cplett.2017.08.068 ) ⭳ Bib
Uses TRAVIS for Aggr.
7 A. Mariani, R. Caminiti, M. Campetella, L. Gontrani:
"Pressure-Induced Mesoscopic Disorder in Protic Ionic Liquids: First Computational Study"
Phys. Chem. Chem. Phys. 2016, 18 (4), 2297–2302.     (DOI 10.1039/C5CP06800B ) ⭳ Bib
Uses TRAVIS for SDF, Domain.
6 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.
5 M. Campetella, D. Bovi, R. Caminiti, L. Guidoni, L. Bencivenni, L. Gontrani:
"Structural and Vibrational Study of 2-Methoxyethylammonium Nitrate (2-OMeEAN): Interpretation of Experimental Results with ab initio Molecular Dynamics"
J. Chem. Phys. 2016, 145 (2), 24507.     (DOI 10.1063/1.4956459 ) ⭳ Bib
Uses TRAVIS for CDF.
4 M. Campetella, S. D. Santis, R. Caminiti, P. Ballirano, C. Sadun, L. Tanzi, L. Gontrani:
"Is a Medium-Range Order Pre-Peak Possible for Ionic Liquids without an Aliphatic Chain?"
RSC Adv. 2015, 5 (63), 50938–50941.     (DOI 10.1039/C5RA07567J ) ⭳ Bib
Uses TRAVIS for CDF.
3 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.
2 L. Tanzi, F. Ramondo, R. Caminiti, M. Campetella, A. D. Luca, L. Gontrani:
"Structural Studies on Choline-Carboxylate Bio-Ionic Liquids by X-Ray Scattering and Molecular Dynamics"
J. Chem. Phys. 2015, 143 (11), 114506.     (DOI 10.1063/1.4931031 ) ⭳ Bib
Uses TRAVIS for SDF.
1 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.

— Author List —

Only showing results by author “Campetella, M.”. Show all citations.

Go to Article List, go to Journal List.

31 different authors contributed to the 15 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
15(show)Campetella, M.
15(show)Gontrani, L.
9(show)Caminiti, R.
4(show)Bodo, E.
3(show)Mariani, A.
2(show)Bencivenni, L.
2(show)Lupi, S.
2(show)Montagna, M.
2(show)Ramondo, F.
2(show)Sadun, C.
2(show)Santis, S. D.
2(show)Scarpellini, E.
2(show)Tanzi, L.
1(show)Ballirano, P.
1(show)Bovi, D.
1(show)Capitani, F.
1(show)Castner, E. W.
1(show)Ceccacci, F.
1(show)Daniele, M.
1(show)D’Apuzzo, F.
1(show)Fasolato, C.
1(show)Guidoni, L.
1(show)Kirchner, B.
1(show)Leonelli, F.
1(show)Luca, A. D.
1(show)Macchiagodena, M.
1(show)Marincola, F. C.
1(show)Martino, A.
1(show)Postorino, P.
1(show)Salma, U.
1(show)Wu, B.

— Journal List —

Only showing results by author “Campetella, M.”. Show all citations.

Go to Article List, go to Author List.

The 15 articles shown above were published in 6 different journals.

CitationsJournal Name
6(show)J. Chem. Phys.
3(show)Phys. Chem. Chem. Phys.
2(show)Chem. Phys. Lett.
2(show)RSC Adv.
1(show)J. Mol. Liq.
1(show)Mol. Phys.