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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 —

This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 539 such publications, written by 1201 different authors.
512 out of these (94.99 %) actually used TRAVIS for results in the manuscript.

Only showing results by author “Gontrani, L.”. Show all citations.

Go to Author List, go to Journal List.

27 citations match the query.  Show continuous list view.

— 2020 —

27 S. D. Muzio, F. Ramondo, L. Gontrani, F. Ferella, M. Nardone, P. Benassi:
"Choline Hydrogen Dicarboxylate Ionic Liquids by X-Ray Scattering, Vibrational Spectroscopy and Molecular Dynamics: H-Fumarate and H-Maleate and Their Conformations"
Molecules 2020, 25 (21), 4990.     (DOI 10.3390/molecules25214990 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.

— 2019 —

26 F. Lo Celso, G. B. Appetecchi, E. Simonetti, M. Zhao, E. W. Castner, U. Keiderling, L. Gontrani, A. Triolo, O. Russina:
"Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids"
Front. Chem. 2019, 7, 285.     (DOI 10.3389/fchem.2019.00285 ) ⭳ Bib
Uses TRAVIS for RDF, CDF.
25 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.
24 F. Lo Celso, G. B. Appetecchi, E. Simonetti, U. Keiderling, L. Gontrani, A. Triolo, O. Russina:
"Mesoscopic Structural Organization in Fluorinated Pyrrolidinium-Based Room Temperature Ionic Liquids"
J. Mol. Liq. 2019, 289, 111110.     (DOI 10.1016/j.molliq.2019.111110 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.

— 2018 —

23 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.
22 F. Lo Celso, G. B. Appetecchi, C. J. Jafta, L. Gontrani, J. N. C. Lopes, A. Triolo, O. Russina:
"Nanoscale Organization in the Fluorinated Room Temperature Ionic Liquid: Tetraethyl Ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide"
J. Chem. Phys. 2018, 148 (19), 193816.     (DOI 10.1063/1.5016236 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF.
21 F. Lo Celso, Y. Yoshida, R. Lombardo, C. J. Jafta, L. Gontrani, A. Triolo, O. Russina:
"Mesoscopic Structural Organization in Fluorinated Room Temperature Ionic Liquids"
C. R. Chim. 2018, 21 (8), 757–770.     (DOI 10.1016/j.crci.2018.02.001 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac.
20 L. Gontrani, F. Trequattrini, O. Palumbo, L. Bencivenni, A. Paolone:
"New Experimental Evidences Regarding Conformational Equilibrium in Ammonium−bis(trifluoromethanesulfonyl)imide Ionic Liquids"
ChemPhysChem 2018, 19 (20), 2776–2781.     (DOI 10.1002/cphc.201800442 ) ⭳ Bib
Uses TRAVIS for RDF, NI.

— 2017 —

19 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.
18 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.
17 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.
16 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.
15 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.
14 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.
13 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.
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.

— 2016 —

11 O. Russina, S. D. Santis, L. Gontrani:
"Micro- and Mesoscopic Structural Features of a Bio-Based Choline-Amino Acid Ionic Liquid"
RSC Adv. 2016, 6 (41), 34737–34743.     (DOI 10.1039/C6RA02142E ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF.
10 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.
9 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.
8 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.
7 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.

— 2015 —

6 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.
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 V. Taresco, L. Gontrani, F. Crisante, I. Francolini, A. Martinelli, L. D’Ilario, F. Bordi, A. Piozzi:
"Self-Assembly of Catecholic Moiety-Containing Cationic Random Acrylic Copolymers"
J. Phys. Chem. B 2015, 119 (26), 8369–8379.     (DOI 10.1021/acs.jpcb.5b05022 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2014 —

2 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 —

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 —

Go to Article List, go to Journal List.

63 different authors contributed to the 27 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
27(show)Gontrani, L.
15(show)Campetella, M.
12(show)Caminiti, R.
5(show)Bodo, E.
5(show)Mariani, A.
5(show)Russina, O.
4(show)Lo Celso, F.
4(show)Ramondo, F.
4(show)Triolo, A.
3(show)Appetecchi, G. B.
3(show)Bencivenni, L.
3(show)Santis, S. D.
2(show)Ballirano, P.
2(show)Capitani, F.
2(show)Castner, E. W.
2(show)Jafta, C. J.
2(show)Keiderling, U.
2(show)Leonelli, F.
2(show)Lupi, S.
2(show)Montagna, M.
2(show)Postorino, P.
2(show)Sadun, C.
2(show)Salma, U.
2(show)Scarpellini, E.
2(show)Simonetti, E.
2(show)Tanzi, L.
1(show)Angiolari, F.
1(show)Benassi, P.
1(show)Bordi, F.
1(show)Bovi, D.
1(show)Ceccacci, F.
1(show)Crisante, F.
1(show)Daniele, M.
1(show)D’Apuzzo, F.
1(show)D’Ilario, L.
1(show)Fasolato, C.
1(show)Ferella, F.
1(show)Francolini, I.
1(show)Guidoni, L.
1(show)Kirchner, B.
1(show)Lombardo, R.
1(show)Lopes, J. N. C.
1(show)Luca, A. D.
1(show)Macchiagodena, M.
1(show)Mangialardo, S.
1(show)Marincola, F. C.
1(show)Martinelli, A.
1(show)Martino, A.
1(show)Mocci, F.
1(show)Muzio, S. D.
1(show)Nardone, M.
1(show)Palumbo, O.
1(show)Paolone, A.
1(show)Piozzi, A.
1(show)Plechkova, N. V.
1(show)Salvitti, G.
1(show)Seddon, K. R.
1(show)Taresco, V.
1(show)Trequattrini, F.
1(show)Usula, M.
1(show)Wu, B.
1(show)Yoshida, Y.
1(show)Zhao, M.

— Journal List —

Go to Article List, go to Author List.

The 27 articles shown above were published in 12 different journals.

CitationsJournal Name
8(show)J. Chem. Phys.
4(show)Phys. Chem. Chem. Phys.
3(show)RSC Adv.
2(show)Chem. Phys. Lett.
2(show)ChemPhysChem
2(show)J. Mol. Liq.
1(show)C. R. Chim.
1(show)Front. Chem.
1(show)J. Phys. Chem. B
1(show)J. Phys. Chem. Lett.
1(show)Mol. Phys.
1(show)Molecules