TRAVIS – Trajectory Analyzer and Visualizer


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 “Serva, A.”. Show all citations.

Go to Author List, go to Journal List.

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

9 R. Berthin, A. Serva, O. Fontaine, M. Salanne:
"Nanostructural Organization in a Biredox Ionic Liquid"
J. Phys. Chem. Lett. 2023, 14 (1), 101–106.     (DOI 10.1021/acs.jpclett.2c03330 ) ⭳ Bib
Uses TRAVIS for RDF, SFac, Domain.
8 T.-Y. Hsu, R. Berthin, A. Serva, K. Reeves, M. Salanne, G. Jeanmairet:
"Electron Transfer of Functionalized Quinones in Acetonitrile"
J. Chem. Phys. 2022, 157 (9), 94103.     (DOI 10.1063/5.0102238 ) ⭳ Bib
7 F. Dorchies, A. Serva, D. Crevel, J. D. Freitas, N. Kostopoulos, M. Robert, O. Sel, M. Salanne, A. Grimaud:
"Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions"
J. Am. Chem. Soc. 2022, 144 (49), 22734–22746.     (DOI 10.1021/jacs.2c10764 ) ⭳ Bib
Uses TRAVIS for RDF, NI, DProf.
6 R. Berthin, A. Serva, K. G. Reeves, E. Heid, C. Schröder, M. Salanne:
"Solvation of Anthraquinone and Tempo Redox-Active Species in Acetonitrile Using a Polarizable Force Field"
J. Chem. Phys. 2021, 155 (7), 74504.     (DOI 10.1063/5.0061891 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, SFac, Power.
5 N. Dubouis, A. Serva, R. Berthin, G. Jeanmairet, B. Porcheron, E. Salager, M. Salanne, A. Grimaud:
"Tuning Water Reduction through Controlled Nanoconfinement within an Organic Liquid Matrix"
Nature Catalysis 2020, 3 (8), 656–663.     (DOI 10.1038/s41929-020-0482-5 ) ⭳ Bib
Uses TRAVIS for Domain.
4 F. Sessa, V. Migliorati, A. Serva, A. Lapi, G. Aquilanti, G. Mancini, P. D'Angelo:
"On the Coordination of Zn2+ Ion in Tf2N− Based Ionic Liquids: Structural and Dynamic Properties Depending on the Nature of the Organic Cation"
Phys. Chem. Chem. Phys. 2018, 20 (4), 2662–2675.     (DOI 10.1039/C7CP07497B ) ⭳ Bib
Uses TRAVIS for SDF.
3 V. Migliorati, A. Serva, G. Aquilanti, S. Pascarelli, P. D'Angelo:
"Local Order and Long Range Correlations in Imidazolium Halide Ionic Liquids: A Combined Molecular Dynamics and XAS Study"
Phys. Chem. Chem. Phys. 2015, 17 (25), 16443–16453.     (DOI 10.1039/C5CP01613D ) ⭳ Bib
2 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.
1 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.

— Author List —

Only showing results by author “Serva, A.”. Show all citations.

Go to Article List, go to Journal List.

29 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Serva, A.
5(show)Salanne, M.
4(show)Aquilanti, G.
4(show)Berthin, R.
4(show)D'Angelo, P.
4(show)Migliorati, V.
3(show)Pascarelli, S.
2(show)Grimaud, A.
2(show)Jeanmairet, G.
1(show)Crevel, D.
1(show)Dorchies, F.
1(show)Dubouis, N.
1(show)Fontaine, O.
1(show)Freitas, J. D.
1(show)Hsu, T.-Y.
1(show)Heid, E.
1(show)Kostopoulos, N.
1(show)Lapi, A.
1(show)Mancini, G.
1(show)Mathon, O.
1(show)Olivi, L.
1(show)Porcheron, B.
1(show)Reeves, K.
1(show)Reeves, K. G.
1(show)Robert, M.
1(show)Salager, E.
1(show)Schröder, C.
1(show)Sel, O.
1(show)Sessa, F.

— Journal List —

Only showing results by author “Serva, A.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 6 different journals.

CitationsJournal Name
3(show)Phys. Chem. Chem. Phys.
2(show)J. Chem. Phys.
1(show)J. Am. Chem. Soc.
1(show)J. Phys. Chem. B
1(show)J. Phys. Chem. Lett.
1(show)Nature Catalysis