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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

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 413 such publications, written by 855 different authors.
391 out of these (94.67 %) actually used TRAVIS for results in the manuscript.

Only showing work with “Structure Factors / van Howe Correlations” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

23 citations match the query.  Show continuous list view.

— 2020 —

23 G. M. Tow, E. J. Maginn:
"Fully Atomistic Molecular Dynamics Simulations of Hydroxyl-Terminated Polybutadiene with Insights into Hydroxyl Aggregation"
Macromolecules 2020, accepted.     (DOI 10.1021/acs.macromol.9b02632 ) ⭳ Bib
Uses TRAVIS for
SFac
.
22 A. Gutiérrez, M. M. Alavianmehr, S. M. Hosseini, R. Ahmadi, S. Aparicio:
"Theoretical Study of Hydrogen Bonding in Complex Alcohol Liquid Mixtures"
J. Mol. Liq. 2020, 300, 112331.     (DOI 10.1016/j.molliq.2019.112331 ) ⭳ Bib
Uses TRAVIS for RDF, SDF,
SFac
.

— 2019 —

21 K. G. Vishnu, A. Strachan:
"Investigation of Structural Ordering in Network Forming Ionic Liquids: A Molecular Dynamics Study"
J. Chem. Phys. 2019, 150 (14), 144904.     (DOI 10.1063/1.5082186 ) ⭳ Bib
Uses TRAVIS for SDF,
SFac
.
20 A. Mariani, M. Bonomo, S. Passerini:
"Statistic-Driven Proton Transfer Affecting Nanoscopic Organization in an Ethylammonium Nitrate Ionic Liquid and 1,4-Diaminobutane Binary Mixture: A Steamy Pizza Model"
Symmetry 2019, 11 (11), 1425.     (DOI 10.3390/sym11111425 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF,
SFac
.
19 T. Aashish, B. S. Mallik:
"Rattling Transport of Lithium Ion in the Cavities of Model Solid Electrolyte Interphase"
J. Phys. Chem. C 2019, 123 (41), 25015–25024.     (DOI 10.1021/acs.jpcc.9b04160 ) ⭳ Bib
Uses TRAVIS for SDF,
SFac
.

— 2018 —

18 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
.
17 M. Macchiagodena, G. Mancini, M. Pagliai, G. Cardini, V. Barone:
"New Atomistic Model of Pyrrole with Improved Liquid State Properties and Structure"
Int. J. Quantum Chem. 2018, 118 (9), e25554.     (DOI 10.1002/qua.25554 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, 3D CDF,
SFac
, Aggr.
16 E. Perlt, P. Ray, A. Hansen, F. Malberg, S. Grimme, B. Kirchner:
"Finding the Best Density Functional Approximation to Describe Interaction Energies and Structures of Ionic Liquids in Molecular Dynamics Studies"
J. Chem. Phys. 2018, 148 (19), 193835.     (DOI 10.1063/1.5013122 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF,
SFac
.
15 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
.
14 U. Kapoor, J. K. Shah:
"Globular, Sponge-Like to Layer-Like Morphological Transition in 1-n-Alkyl-3-methylimidazolium Octylsulfate Ionic Liquid Homologous Series"
J. Phys. Chem. B 2018, 122 (1), 213–228.     (DOI 10.1021/acs.jpcb.7b08397 ) ⭳ Bib
Uses TRAVIS for RDF,
SFac
, Domain.
13 S. Dasari, B. S. Mallik:
"Nondiffusive Rotational Jump Dynamics in Ethyl Ammonium Nitrate"
J. Phys. Chem. B 2018, 122 (42), 9738–9746.     (DOI 10.1021/acs.jpcb.8b06372 ) ⭳ Bib
Uses TRAVIS for SDF, CDF,
SFac
.

— 2017 —

12 S. I. Lall-Ramnarine, M. Zhao, C. Rodriguez, R. Fernandez, N. Zmich, E. D. Fernandez, S. B. Dhiman, E. W. Castner, J. F. Wishart:
"Connecting Structural and Transport Properties of Ionic Liquids with Cationic Oligoether Chains"
J. Electrochem. Soc. 2017, 164 (8), H5247–H5262.     (DOI 10.1149/2.0371708jes ) ⭳ Bib
Uses TRAVIS for RDF, SDF,
SFac
.
11 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 —

10 F. Lo Celso, B. Aoun, A. Triolo, O. Russina:
"Liquid Structure of Dibutyl Sulfoxide"
Phys. Chem. Chem. Phys. 2016, 18 (23), 15980–15987.     (DOI 10.1039/C6CP02335E ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF,
SFac
, MSD, RDyn.
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
.

— 2015 —

8 O. Russina, F. Lo Celso, A. Triolo:
"Pressure-Responsive Mesoscopic Structures in Room Temperature Ionic Liquids"
Phys. Chem. Chem. Phys. 2015, 17 (44), 29496–29500.     (DOI 10.1039/C5CP04682C ) ⭳ Bib
Uses TRAVIS for CDF,
SFac
.
7 V. Migliorati, A. Serva, G. Aquilanti, L. Olivi, S. Pascarelli, O. Mathon, P. D'Angelo:
"Combining EXAFS Spectroscopy and Molecular Dynamics Simulations to Understand the Structural and Dynamic Properties of an Imidazolium Iodide Ionic Liquid"
Phys. Chem. Chem. Phys. 2015, 17 (4), 2464–2474.     (DOI 10.1039/C4CP04406A ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF,
SFac
, Aggr.
6 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
.
5 O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner:
"Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures"
ChemPhysChem 2015, 16 (15), 3325–3333.     (DOI 10.1002/cphc.201500473 ) ⭳ Bib
Uses TRAVIS for RDF,
SFac
.
4 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
.
3 P. D'Angelo, A. Serva, G. Aquilanti, S. Pascarelli, V. Migliorati:
"Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions"
J. Phys. Chem. B 2015, 119 (45), 14515–14526.     (DOI 10.1021/acs.jpcb.5b08739 ) ⭳ Bib
Uses TRAVIS for RDF, SDF,
SFac
.

— 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.

72 different authors contributed to the 23 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Gontrani, L.
6(show)Russina, O.
6(show)Triolo, A.
4(show)Bodo, E.
4(show)Campetella, M.
4(show)Mariani, A.
3(show)Caminiti, R.
3(show)Kirchner, B.
3(show)Lo Celso, F.
3(show)Macchiagodena, M.
2(show)Aoun, B.
2(show)Aquilanti, G.
2(show)Castner, E. W.
2(show)D'Angelo, P.
2(show)Mallik, B. S.
2(show)Migliorati, V.
2(show)Montagna, M.
2(show)Pascarelli, S.
2(show)Serva, A.
1(show)Aashish, T.
1(show)Ahmadi, R.
1(show)Alavianmehr, M. M.
1(show)Aparicio, S.
1(show)Barone, V.
1(show)Bonomo, M.
1(show)Brehm, M.
1(show)Capitani, F.
1(show)Cardini, G.
1(show)Ceccacci, F.
1(show)Dasari, S.
1(show)Dhiman, S. B.
1(show)Fernandez, E. D.
1(show)Fernandez, R.
1(show)Grimme, S.
1(show)Gutiérrez, A.
1(show)Hansen, A.
1(show)Hollóczki, O.
1(show)Hosseini, S. M.
1(show)Jafta, C. J.
1(show)Kapoor, U.
1(show)Lall-Ramnarine, S. I.
1(show)Leonelli, F.
1(show)Lombardo, R.
1(show)Maginn, E. J.
1(show)Malberg, F.
1(show)Mancini, G.
1(show)Mangialardo, S.
1(show)Marincola, F. C.
1(show)Mathon, O.
1(show)Olivi, L.
1(show)Pagliai, M.
1(show)Passerini, S.
1(show)Perlt, E.
1(show)Postorino, P.
1(show)Ray, P.
1(show)Rodriguez, C.
1(show)Russina, M.
1(show)Sadun, C.
1(show)Santis, S. D.
1(show)Scarpellini, E.
1(show)Shah, J. K.
1(show)Stark, A.
1(show)Strachan, A.
1(show)Thomas, M.
1(show)Tow, G. M.
1(show)Vishnu, K. G.
1(show)Weber, H.
1(show)Wishart, J. F.
1(show)Wu, B.
1(show)Yoshida, Y.
1(show)Zhao, M.
1(show)Zmich, N.

— Journal List —

Go to Article List, go to Author List.

The 23 articles shown above were published in 12 different journals.

CitationsJournal Name
6(show)J. Chem. Phys.
4(show)Phys. Chem. Chem. Phys.
3(show)J. Phys. Chem. B
2(show)J. Mol. Liq.
1(show)C. R. Chim.
1(show)ChemPhysChem
1(show)Int. J. Quantum Chem.
1(show)J. Electrochem. Soc.
1(show)J. Non-Cryst. Solids
1(show)J. Phys. Chem. C
1(show)Macromolecules
1(show)Symmetry

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TRAVIS ORCA MD Spectroscopy bqb Format