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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 “Atilhan, M.”. Show all citations.

Go to Author List, go to Journal List.

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

12 J. A. Tamayo-Ramos, S. Martel, R. Barros, A. Bol, M. Atilhan, S. Aparicio:
"On the Behavior of Quercetin + Organic Solvent Solutions and Their Role for C60 Fullerene Solubilization"
J. Mol. Liq. 2022, 345, 117714.     (DOI 10.1016/j.molliq.2021.117714 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, CMat.
11 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.
10 S. Rozas, N. Alomari, S. Aparicio, M. Atilhan:
"Nanoscopic Study on Carvone-Terpene Based Natural Deep Eutectic Solvents"
J. Chem. Phys. 2021, 155 (22), 224702.     (DOI 10.1063/5.0074823 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF.
9 J. L. Trenzado, S. Rozas, M. N. Caro, M. Atilhan, S. Aparicio:
"A Combined Experimental and Theoretical Study on Diglyme + 1-Alkanol Liquid Mixtures"
J. Mol. Liq. 2021, 334, 116048.     (DOI 10.1016/j.molliq.2021.116048 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
8 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Molecular Dynamics Study on Water Confinement in Deep Eutectic Solvents"
J. Mol. Liq. 2021, 339, 116758.     (DOI 10.1016/j.molliq.2021.116758 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.
7 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.
6 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.
5 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.
4 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.
3 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.
2 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.
1 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.

— Author List —

Only showing results by author “Atilhan, M.”. Show all citations.

Go to Article List, go to Journal List.

13 different authors contributed to the 12 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
12(show)Aparicio, S.
12(show)Atilhan, M.
5(show)Gutiérrez, A.
5(show)Rozas, S.
3(show)Trenzado, J. L.
2(show)Alcalde, R.
1(show)Alomari, N.
1(show)Barros, R.
1(show)Bol, A.
1(show)Caro, M. N.
1(show)Cincotti, A.
1(show)Martel, S.
1(show)Tamayo-Ramos, J. A.

— Journal List —

Only showing results by author “Atilhan, M.”. Show all citations.

Go to Article List, go to Author List.

The 12 articles shown above were published in 5 different journals.

CitationsJournal Name
7(show)J. Mol. Liq.
2(show)J. Phys. Chem. B
1(show)J. Chem. Eng. Data
1(show)J. Chem. Phys.
1(show)Phys. Chem. Chem. Phys.