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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 “Aparicio, S.”. Show all citations.

Go to Author List, go to Journal List.

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

16 L. Maritsa, S. Martel, R. Barros, A. Bol, S. Aparicio:
"Additivation of MoS2 Nanosheets to Synthetic Poly-Alpha-Olefins Base Oils: A Theoretical Study of Nanolubrication"
J. Mol. Liq. 2021, 25, 115881.     (DOI 10.1016/j.molliq.2021.115881 ) ⭳ Bib
Uses TRAVIS for RDF.
15 M. Atilhan, A. Cincotti, S. Aparicio:
"Nanoscopic Characterization of Type Li Porous Liquid and Its Use for CO2 Absorption from Molecular Simulation"
J. Mol. Liq. 2021, 330, 115660.     (DOI 10.1016/j.molliq.2021.115660 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.
14 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Behavior of Antibiotics in Natural Deep Eutectic Solvents"
J. Chem. Eng. Data 2020, 65 (9), 4669–4683.     (DOI 10.1021/acs.jced.0c00519 ) ⭳ Bib
Uses TRAVIS for RDF.
13 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.
12 L. Maritsa, A. Bol, S. Aparicio:
"Densification and Tribofilm Formation in Hydrocarbon Nanofluids Induced by MoS2 Nanotubes"
J. Mol. Liq. 2020, 311, 113291.     (DOI 10.1016/j.molliq.2020.113291 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF.
11 S. Rozas, M. Atilhan, S. Aparicio:
"Insights on (C, BN, Si, Ge, MoS2) Nanotubes in Reline Deep Eutectic Solvent"
J. Phys. Chem. B 2020, 124 (17), 3556–3567.     (DOI 10.1021/acs.jpcb.0c01253 ) ⭳ Bib
Uses TRAVIS.
10 A. Kumar, A. Cincotti, S. Aparicio:
"A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes"
Molecules 2020, 25 (6), 1435.     (DOI 10.3390/molecules25061435 ) ⭳ Bib
Uses TRAVIS for CDF.
9 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.
8 M. M. Alavianmehr, R. Ahmadi, N. Aguilar, M. El-Shaikh, S. M. Hosseini, S. Aparicio:
"Thermophysical and Molecular Modelling Insights into Glycerol + Alcohol Liquid Mixtures"
J. Mol. Liq. 2020, 297, 111811.     (DOI 10.1016/j.molliq.2019.111811 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF.
7 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.
6 J. L. Trenzado, S. Rozas, R. Alcalde, M. Atilhan, S. Aparicio:
"Intermolecular Forces in Pyrrolidones + 1,2-Alkanediol Liquid Mixtures"
J. Mol. Liq. 2020, 302, 112539.     (DOI 10.1016/j.molliq.2020.112539 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.
5 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Theoretical Study on Deep Eutectic Solvents As Vehicles for the Delivery of Anesthetics"
J. Phys. Chem. B 2020, 124 (9), 1794–1805.     (DOI 10.1021/acs.jpcb.9b11756 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
4 A. Gutiérrez, S. Aparicio, M. Atilhan:
"Design of Arginine-Based Therapeutic Deep Eutectic Solvents as Drug Solubilization Vehicles for Active Pharmaceutical Ingredients"
Phys. Chem. Chem. Phys. 2019, 21 (20), 10621–10634.     (DOI 10.1039/C9CP01408J ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
3 J. L. Trenzado, A. Gutiérrez, R. Alcalde, M. Atilhan, S. Aparicio:
"Insights on [BMIm][BF4] and [BMIm][PF6] Ionic Liquids and Their Binary Mixtures with Acetone and Acetonitrile"
J. Mol. Liq. 2019, 294, 111632.     (DOI 10.1016/j.molliq.2019.111632 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
2 N. Aguilar, S. Aparicio:
"Theoretical Insights into CO2 Adsorption by MoS2 Nanomaterials"
J. Phys. Chem. C 2019, 123 (43), 26338–26350.     (DOI 10.1021/acs.jpcc.9b07219 ) ⭳ Bib
Uses TRAVIS for CDF.
1 T. C. Lourenço, S. Aparicio, G. C. Costa, L. T. Costa:
"Local Environment Structure and Dynamics of CO2 in the 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide and Related Ionic Liquids"
J. Chem. Phys. 2017, 146 (10), 104502.     (DOI 10.1063/1.4977786 ) ⭳ Bib
Uses TRAVIS for SDF, CDF.

— Author List —

Only showing results by author “Aparicio, S.”. Show all citations.

Go to Article List, go to Journal List.

22 different authors contributed to the 16 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
16(show)Aparicio, S.
7(show)Atilhan, M.
5(show)Gutiérrez, A.
3(show)Bol, A.
3(show)Hosseini, S. M.
3(show)Maritsa, L.
2(show)Aguilar, N.
2(show)Ahmadi, R.
2(show)Alavianmehr, M. M.
2(show)Alcalde, R.
2(show)Cincotti, A.
2(show)Rozas, S.
2(show)Trenzado, J. L.
1(show)Barros, R.
1(show)Costa, G. C.
1(show)Costa, L. T.
1(show)El-Shaikh, M.
1(show)Kumar, A.
1(show)Lourenço, T. C.
1(show)Martel, S.
1(show)Moghaddari, M.
1(show)Yousefi, F.

— Journal List —

Only showing results by author “Aparicio, S.”. Show all citations.

Go to Article List, go to Author List.

The 16 articles shown above were published in 8 different journals.

CitationsJournal Name
8(show)J. Mol. Liq.
2(show)J. Phys. Chem. B
1(show)Appl. Surf. Sci.
1(show)J. Chem. Eng. Data
1(show)J. Chem. Phys.
1(show)J. Phys. Chem. C
1(show)Molecules
1(show)Phys. Chem. Chem. Phys.