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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 work with “Density Profiles” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

19 citations match the query.  Show continuous list view.

— 2022 —

19 C. Gui, Z. Li, Z. Lei, Y. Dong:
"Combinatorial Screening of Ionic Liquid Extractant for Removal of Methanol from Methylal"
Chem. Eng. Sci. 2022, 249, 117317.     (DOI 10.1016/j.ces.2021.117317 ) ⭳ Bib
Uses TRAVIS for SDF,
DProf
.
18 T. Ghaed-Sharaf, A. Omidvar:
"Exploring the Permeability of Covid-19 Drugs within the Cellular Membrane: A Molecular Dynamics Simulation Study"
Phys. Chem. Chem. Phys. 2022, 24 (10), 6215–6224.     (DOI 10.1039/D1CP05550J ) ⭳ Bib
Uses TRAVIS for RDF, CDF,
DProf
, MSD.
17 K. Silva, L. A. Silva, A. M. Pereira, L. C. Bastos, J. C. G. Correia, A. Piçarra, L. Bicalho, N. Lima, I. V. Filippova, L. O. Filippov:
"Comparison between Etheramine and Amidoamine (N-[3-(Dimethylamino)propyl]dodecanamide) Collectors: Adsorption Mechanisms on Quartz and Hematite Unveiled by Molecular Simulations"
Miner. Eng. 2022, 180, 107470.     (DOI 10.1016/j.mineng.2022.107470 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
DProf
.
16 E. Duque-Redondo, E. Masoero, H. Manzano:
"Nanoscale Shear Cohesion between Cement Hydrates: The Role of Water Diffusivity under Structural and Electrostatic Confinement"
Cem. Concr. Res. 2022, 154, 106716.     (DOI 10.1016/j.cemconres.2022.106716 ) ⭳ Bib
Uses TRAVIS for
DProf
.
15 S. Rozas, M. Atilhan, S. Aparicio:
"Bulk Liquid Phase and Interfacial Behavior of Cineole – Based Deep Eutectic Solvents with Regard to Carbon Dioxide"
J. Mol. Liq. 2022, 353, 118748.     (DOI 10.1016/j.molliq.2022.118748 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF,
DProf
.
14 D. K. Panda, B. L. Bhargava:
"Molecular Dynamics Investigation of Non-Ionic Deep Eutectic Solvents"
J. Mol. Graph. Model. 2022, 113, 108152.     (DOI 10.1016/j.jmgm.2022.108152 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac,
DProf
.
13 C. V. Nguyen, M. Peng, T. T. Duignan, A. V. Nguyen:
"Salting-Up of Surfactants at the Surface of Saline Water As Detected by Tensiometry and SFG and Supported by Molecular Dynamics Simulation"
J. Phys. Chem. B 2022, 126 (5), 1063–1075.     (DOI 10.1021/acs.jpcb.1c08114 ) ⭳ Bib
Uses TRAVIS for RDF, SDF,
DProf
.
12 Z. Ge, H. Cheng, G. Zhang, L. Wang, Z. Qi:
"Mechanism of Extractive Separation of Light Cycle Oil Using a Deep Eutectic Solvent Composed of Tetrabutylphosphonium Bromide and Levulinic Acid"
Energy Fuels 2022, 36 (4), 1854–1862.     (DOI 10.1021/acs.energyfuels.1c03856 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF,
DProf
.
11 M. Nyepetsi, F. Mbaiwa, O. A. Oyetunji, N. H. de Leeuw:
"Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations"
ACS Omega 2022, 7 (12), 10212–10224.     (DOI 10.1021/acsomega.1c06762 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
DProf
.

— 2021 —

10 N. Zec, G. Mangiapia, A. C. Hendry, R. Barker, A. Koutsioubas, H. Frielinghaus, M. Campana, J. L. Ortega-Roldan, S. Busch, J.-F. Moulin:
"Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments"
Membranes 2021, 11 (7), 507.     (DOI 10.3390/membranes11070507 ) ⭳ Bib
Uses TRAVIS for
DProf
.

— 2020 —

9 O. V. M. Bueno, J. J. Benítez, M. A. San-Miguel:
"Elucidating Esterification Reaction during Deposition of Cutin Monomers from Classical Molecular Dynamics Simulations"
J. Mol. Model. 2020, 26 (10), 280.     (DOI 10.1007/s00894-020-04544-9 ) ⭳ Bib
Uses TRAVIS for RDF, CDF,
DProf
.
8 M. H. Dokoohaki, A. R. Zolghadr, M. H. Ghatee, A. Klein:
"Aqueous Solutions of Binary Ionic Liquids: Insight into Structure, Dynamics, and Interface Properties by Molecular Dynamics Simulations and DFT Methods"
Phys. Chem. Chem. Phys. 2020, 22 (47), 27882–27895.     (DOI 10.1039/D0CP04303F ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF,
DProf
.
7 L. Maritsa, A. Bol, S. Aparicio:
"Quasi-Smectic Liquid Crystal Phase of Octane in Contact with 2D MoS2"
Appl. Surf. Sci. 2020, 533, 147386.     (DOI 10.1016/j.apsusc.2020.147386 ) ⭳ Bib
Uses TRAVIS for
DProf
.
6 M. Moghaddari, F. Yousefi, S. Aparicio, S. M. Hosseini:
"Thermal Conductivity and Structuring of Multiwalled Carbon Nanotubes Based Nanofluids"
J. Mol. Liq. 2020, 307, 112977.     (DOI 10.1016/j.molliq.2020.112977 ) ⭳ Bib
Uses TRAVIS for RDF,
DProf
.
5 M. H. Dokoohaki, A. R. Zolghadr, A. Klein:
"Impact of the Chemical Structure on the Distribution of Neuroprotective N-Alkyl-9H-carbazoles at Octanol/Water Interfaces"
New J. Chem. 2020, 44 (4), 1211–1220.     (DOI 10.1039/C9NJ04251B ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF,
DProf
.

— 2018 —

4 C. J. Smith, S. Gehrke, O. Hollóczki, D. V. Wagle, M. P. Heitz, G. A. Baker:
"NMR Relaxometric Probing of Ionic Liquid Dynamics and Diffusion under Mesoscopic Confinement within Bacterial Cellulose Ionogels"
J. Chem. Phys. 2018, 148 (19), 193845.     (DOI 10.1063/1.5016337 ) ⭳ Bib
Uses TRAVIS for RDF,
DProf
, Aggr, MSD, RDyn.

— 2017 —

3 X.-Y. Guo, C. Peschel, T. Watermann, G. Rudorff, D. Sebastiani:
"Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer"
Polymers 2017, 9 (12), 488.     (DOI 10.3390/polym9100488 ) ⭳ Bib
Uses TRAVIS for RDF,
DProf
, MSD.
2 M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani:
"Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers"
J. Phys. Chem. B 2017, 121 (35), 8311–8321.     (DOI 10.1021/acs.jpcb.7b06520 ) ⭳ Bib
Uses TRAVIS for RDF,
DProf
, MSD, Order.

— 2015 —

1 H. Weber, M. Salanne, B. Kirchner:
"Toward an Accurate Modeling of Ionic Liquid–TiO2 Interfaces"
J. Phys. Chem. C 2015, 119 (45), 25260–25267.     (DOI 10.1021/acs.jpcc.5b08538 ) ⭳ Bib
Uses TRAVIS for CDF,
DProf
.


— Author List —

Only showing work with “Density Profiles” from TRAVIS. Show all citations.

Go to Article List, go to Journal List.

75 different authors contributed to the 19 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
3(show)Aparicio, S.
2(show)Dokoohaki, M. H.
2(show)Klein, A.
2(show)Sebastiani, D.
2(show)Watermann, T.
2(show)Zolghadr, A. R.
1(show)Atilhan, M.
1(show)Baker, G. A.
1(show)Barker, R.
1(show)Bastos, L. C.
1(show)Benítez, J. J.
1(show)Bhargava, B. L.
1(show)Bicalho, L.
1(show)Bol, A.
1(show)Brehm, M.
1(show)Bueno, O. V. M.
1(show)Busch, S.
1(show)Campana, M.
1(show)Cheng, H.
1(show)Correia, J. C. G.
1(show)de Leeuw, N. H.
1(show)Dong, Y.
1(show)Duignan, T. T.
1(show)Duque-Redondo, E.
1(show)Frielinghaus, H.
1(show)Ge, Z.
1(show)Gehrke, S.
1(show)Gui, C.
1(show)Guo, X.-Y.
1(show)Heitz, M. P.
1(show)Hendry, A. C.
1(show)Hollóczki, O.
1(show)Hosseini, S. M.
1(show)Filippov, L. O.
1(show)Filippova, I. V.
1(show)Ghaed-Sharaf, T.
1(show)Ghatee, M. H.
1(show)Kirchner, B.
1(show)Koutsioubas, A.
1(show)Lei, Z.
1(show)Li, Z.
1(show)Lima, N.
1(show)Mangiapia, G.
1(show)Manzano, H.
1(show)Maritsa, L.
1(show)Masoero, E.
1(show)Mbaiwa, F.
1(show)Moghaddari, M.
1(show)Moulin, J.-F.
1(show)Nguyen, A. V.
1(show)Nguyen, C. V.
1(show)Nyepetsi, M.
1(show)Omidvar, A.
1(show)Ortega-Roldan, J. L.
1(show)Oyetunji, O. A.
1(show)Panda, D. K.
1(show)Peng, M.
1(show)Pereira, A. M.
1(show)Peschel, C.
1(show)Piçarra, A.
1(show)Qi, Z.
1(show)Rozas, S.
1(show)Rudorff, G.
1(show)Saddiq, G.
1(show)Salanne, M.
1(show)San-Miguel, M. A.
1(show)Silva, K.
1(show)Silva, L. A.
1(show)Smith, C. J.
1(show)Wagle, D. V.
1(show)Wang, L.
1(show)Weber, H.
1(show)Yousefi, F.
1(show)Zec, N.
1(show)Zhang, G.

— Journal List —

Only showing work with “Density Profiles” from TRAVIS. Show all citations.

Go to Article List, go to Author List.

The 19 articles shown above were published in 16 different journals.

CitationsJournal Name
2(show)J. Mol. Liq.
2(show)J. Phys. Chem. B
2(show)Phys. Chem. Chem. Phys.
1(show)ACS Omega
1(show)Appl. Surf. Sci.
1(show)Cem. Concr. Res.
1(show)Chem. Eng. Sci.
1(show)Energy Fuels
1(show)J. Chem. Phys.
1(show)J. Mol. Graph. Model.
1(show)J. Mol. Model.
1(show)J. Phys. Chem. C
1(show)Membranes
1(show)Miner. Eng.
1(show)New J. Chem.
1(show)Polymers