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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 “Caminiti, R.”. Show all citations.

Go to Author List, go to Journal List.

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

16 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.
15 U. Salma, M. Usula, R. Caminiti, L. Gontrani, N. V. Plechkova, K. R. Seddon:
"X-Ray and Molecular Dynamics Studies of Butylammonium Butanoate–Water Binary Mixtures"
Phys. Chem. Chem. Phys. 2017, 19 (3), 1975–1981.     (DOI 10.1039/C6CP06860J ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
14 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.
13 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.
12 A. Mariani, R. Caminiti, F. Ramondo, G. Salvitti, F. Mocci, L. Gontrani:
"Inhomogeneity in Ethylammonium Nitrate–Acetonitrile Binary Mixtures: The Highest “low Q Excess” Reported to Date"
J. Phys. Chem. Lett. 2017, 8 (15), 3512–3522.     (DOI 10.1021/acs.jpclett.7b01244 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.
11 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.
10 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.
9 A. Mariani, P. Ballirano, F. Angiolari, R. Caminiti, L. Gontrani:
"Does High Pressure Induce Structural Reorganization in Linear Alcohols? A Computational Answer"
ChemPhysChem 2016, 17 (19), 3023–3029.     (DOI 10.1002/cphc.201600268 ) ⭳ Bib
Uses TRAVIS for CDF.
8 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.
7 O. Russina, M. Macchiagodena, B. Kirchner, A. Mariani, B. Aoun, M. Russina, R. Caminiti, A. Triolo:
"Association in Ethylammonium Nitrate–Dimethyl Sulfoxide Mixtures: First Structural and Dynamical Evidences"
J. Non-Cryst. Solids 2015, 407, 333–338.     (DOI 10.1016/j.jnoncrysol.2014.08.051 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, SFac.
6 O. Russina, A. Mariani, R. Caminiti, A. Triolo:
"Structure of a Binary Mixture of Ethylammonium Nitrate and Methanol"
J. Solution Chem. 2015, 44 (3-4), 669–685.     (DOI 10.1007/s10953-015-0311-7 ) ⭳ Bib
Uses TRAVIS for RDF, CDF.
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 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.
3 A. Mariani, O. Russina, R. Caminiti, A. Triolo:
"Structural Organization in a Methanol:Ethylammonium Nitrate (1:4) Mixture: A Joint X-Ray/Neutron Diffraction and Computational Study"
J. Mol. Liq. 2015, 212, 947–956.     (DOI 10.1016/j.molliq.2015.10.054 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, SFac.
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 “Caminiti, R.”. Show all citations.

Go to Article List, go to Journal List.

39 different authors contributed to the 16 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
16(show)Caminiti, R.
12(show)Gontrani, L.
9(show)Campetella, M.
7(show)Mariani, A.
3(show)Bodo, E.
3(show)Russina, O.
3(show)Triolo, A.
2(show)Ballirano, P.
2(show)Bencivenni, L.
2(show)Lupi, S.
2(show)Postorino, P.
2(show)Ramondo, F.
2(show)Salma, U.
2(show)Tanzi, L.
1(show)Angiolari, F.
1(show)Aoun, B.
1(show)Bovi, D.
1(show)Capitani, F.
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)Luca, A. D.
1(show)Macchiagodena, M.
1(show)Mangialardo, S.
1(show)Marincola, F. C.
1(show)Martino, A.
1(show)Mocci, F.
1(show)Plechkova, N. V.
1(show)Russina, M.
1(show)Sadun, C.
1(show)Salvitti, G.
1(show)Santis, S. D.
1(show)Scarpellini, E.
1(show)Seddon, K. R.
1(show)Sferrazza, A.
1(show)Usula, M.

— Journal List —

Only showing results by author “Caminiti, R.”. Show all citations.

Go to Article List, go to Author List.

The 16 articles shown above were published in 9 different journals.

CitationsJournal Name
5(show)J. Chem. Phys.
2(show)J. Mol. Liq.
2(show)Phys. Chem. Chem. Phys.
2(show)RSC Adv.
1(show)Chem. Phys. Lett.
1(show)ChemPhysChem
1(show)J. Non-Cryst. Solids
1(show)J. Phys. Chem. Lett.
1(show)J. Solution Chem.