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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).

Want to join the TRAVIS team? There are two PhD positions available in the group of Prof. Martin Brehm at the University of Paderborn (Germany). Please see the official announcements in German and English language. You can apply until 15.03.2024.

— Work Citing TRAVIS —

Only showing results in journal “RSC Adv.”. Show all citations.

Go to Author List, go to Journal List.

Show only articles where TRAVIS was used to compute...

 ... any result (766)

 ... RDFs (g(r), Radial Distribution Functions) (358)

 ... Number Integrals / Coordination Numbers (110)

 ... SDFs (Spatial Distribution Functions) (374)

 ... CDFs (Combined Distribution Functions) (210)

 ... 3D CDFs (3)

 ... Structure Factors / van Howe Correlations (59)

 ... Density Profiles (30)

 ... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (86)

 ... MSDs (Mean Square Displacements), Diffusion Coefficients (78)

 ... Vector Reorientation Dynamics / Rotational Relaxation Times (17)

 ... Voronoi Statistics / Surface Coverage / Visualization (20)

 ... Voronoi-based Domain Analysis (39)

 ... Power Spectra / Vibrational Density of States (67)

 ... Vibrational Spectra (IR, Raman, VCD, ROA) (79)

 ... Bulk Phase Normal Modes (8)

 ... Order Parameters (3)

 ... Sankey Diagrams / Hydrogen Bond Topology (8)

 ... Connection Matrix (8)


14 citations match the query.  Show continuous list view.

— 2023 —

14 M. Abbaspour, F. Fotourechi, H. Akbarzadeh, S. Salemi:
"Investigation of Small Inhibitor Effects on Methane Hydrate Formation in a Carbon Nanotube Using Molecular Dynamics Simulation"
RSC Adv. 2023, 13 (10), 6800–6807.     (DOI 10.1039/D2RA06518E ) ⭳ Bib
Uses TRAVIS for RDF.

— 2021 —

13 I. Kim, S. Choi, J.-H. Kwon, S. J. Ahn, M. S. Yeom, H. S. Lee, S.-H. Yi, Y. H. Kim:
"Formation of Arsenic Clusters in InAs Nanowires with an Al2O3 Shell"
RSC Adv. 2021, 11 (1), 177–182.     (DOI 10.1039/D0RA06505F ) ⭳ Bib
Uses TRAVIS for MSD.
12 Z. Sheybani, M. H. Dokoohaki, M. Negahdaripour, M. Dehdashti, H. Zolghadr, M. Moghadami, S. M. Masoompour, A. R. Zolghadr:
"The Interactions of Folate with the Enzyme Furin: A Computational Study"
RSC Adv. 2021, 11 (38), 23815–23824.     (DOI 10.1039/D1RA03299B ) ⭳ Bib
Uses TRAVIS for CDF.
11 M. V. Velarde-Salcedo, J. Sánchez-Badillo, M. Gallo, J. López-Lemus:
"Excess Chemical Potential of Thiophene in [C4MIm] [BF4, Cl, Br, CH3COO] Ionic Liquids, Determined by Molecular Simulations"
RSC Adv. 2021, 11 (47), 29394–29406.     (DOI 10.1039/D1RA04615B ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF.
10 M. Abbaspour, H. Akbarzadeh, S. Salemi, L. Bahmanipour:
"Phase Transitions in Nanostructured Water Confined in Carbon Nanotubes by External Electric and Magnetic Fields: A Molecular Dynamics Investigation"
RSC Adv. 2021, 11 (18), 10532–10539.     (DOI 10.1039/D0RA09135A ) ⭳ Bib
Uses TRAVIS for RDF.

— 2020 —

9 L. M. L. Daku:
"Spin-State Dependence of the Structural and Vibrational Properties of Solvated Iron(II) Polypyridyl Complexes from Aimd Simulations: III. [Fe(TPEn)]Cl2 in Acetonitrile"
RSC Adv. 2020, 10 (71), 43343–43357.     (DOI 10.1039/D0RA09499D ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Spec.
8 T. D. N. Reddy, B. S. Mallik:
"Nanostructure Domains, Voids, and Low-Frequency Spectra in Binary Mixtures of N,N-Dimethylacetamide and Ionic Liquids with Varying Cationic Size"
RSC Adv. 2020, 10 (3), 1811–1827.     (DOI 10.1039/C9RA09041J ) ⭳ Bib
Uses TRAVIS for SDF, CDF, Aggr, Domain.
7 A. Biswas, B. S. Mallik:
"Distinctive Behavior and Two-Dimensional Vibrational Dynamics of Water Molecules inside Glycine Solvation Shell"
RSC Adv. 2020, 10 (11), 6658–6670.     (DOI 10.1039/C9RA10521B ) ⭳ Bib
Uses TRAVIS for SDF, CDF.

— 2019 —

6 J. Sánchez-Badillo, M. Gallo, R. A. Guirado-López, J. López-Lemus:
"Thermodynamic, Structural and Dynamic Properties of Ionic Liquids [C4MIm][CF3COO], [C4MIm][Br] in the Condensed Phase, Using Molecular Simulations"
RSC Adv. 2019, 9 (24), 13677–13695.     (DOI 10.1039/C9RA02058F ) ⭳ Bib
Uses TRAVIS for SDF, CDF.
5 O. V. M. Bueno, J. J. Benítez, M. A. San-Miguel:
"Understanding Segregation Processes in SAMs Formed by Mixtures of Hydroxylated and Non-Hydroxylated Fatty Acids"
RSC Adv. 2019, 9 (67), 39252–39263.     (DOI 10.1039/C9RA06799J ) ⭳ Bib
Uses TRAVIS for CDF.

— 2017 —

4 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.

— 2016 —

3 P. Prakash, A. Venkatnathan:
"Molecular Mechanism of CO2 Absorption in Phosphonium Amino Acid Ionic Liquid"
RSC Adv. 2016, 6 (60), 55438–55443.     (DOI 10.1039/C6RA09577A ) ⭳ Bib
Uses TRAVIS for SDF.
2 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.

— 2015 —

1 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.

— Author List —

Only showing results in journal “RSC Adv.”. Show all citations.

Go to Article List, go to Journal List.

44 different authors contributed to the 14 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Abbaspour, M.
1(show)Ahn, S. J.
2(show)Akbarzadeh, H.
1(show)Bahmanipour, L.
1(show)Ballirano, P.
1(show)Benítez, J. J.
1(show)Biswas, A.
1(show)Bueno, O. V. M.
2(show)Caminiti, R.
2(show)Campetella, M.
1(show)Choi, S.
1(show)Daku, L. M. L.
1(show)Dehdashti, M.
1(show)Dokoohaki, M. H.
1(show)Fotourechi, F.
2(show)Gallo, M.
3(show)Gontrani, L.
1(show)Guirado-López, R. A.
1(show)Kim, I.
1(show)Kim, Y. H.
1(show)Kwon, J.-H.
1(show)Lee, H. S.
2(show)López-Lemus, J.
2(show)Mallik, B. S.
1(show)Masoompour, S. M.
1(show)Moghadami, M.
1(show)Negahdaripour, M.
1(show)Prakash, P.
1(show)Reddy, T. D. N.
1(show)Russina, O.
1(show)Sadun, C.
2(show)Salemi, S.
1(show)San-Miguel, M. A.
2(show)Sánchez-Badillo, J.
2(show)Santis, S. D.
1(show)Scarpellini, E.
1(show)Sheybani, Z.
1(show)Tanzi, L.
1(show)Velarde-Salcedo, M. V.
1(show)Venkatnathan, A.
1(show)Yeom, M. S.
1(show)Yi, S.-H.
1(show)Zolghadr, A. R.
1(show)Zolghadr, H.

— Journal List —

Only showing results in journal “RSC Adv.”. Show all citations.

Go to Article List, go to Author List.

The 14 articles shown above were published in 1 different journals.

CitationsJournal Name
14(show)RSC Adv.