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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 “Allolio, C.”. Show all citations.

Go to Author List, go to Journal List.

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

4 I. Shumilin, C. Allolio, D. Harries:
"How Sugars Modify Caffeine Self-Association and Solubility: Resolving a Mechanism of Selective Hydrotropy"
J. Am. Chem. Soc. 2019, 141 (45), 18056–18063.     (DOI 10.1021/jacs.9b07056 ) ⭳ Bib
Uses TRAVIS for SDF.
3 B. Koeppe, S. A. Pylaeva, C. Allolio, D. Sebastiani, E. T. J. Nibbering, G. S. Denisov, H.-H. Limbach, P. M. Tolstoy:
"Polar Solvent Fluctuations Drive Proton Transfer in Hydrogen Bonded Complexes of Carboxylic Acid with Pyridines: NMR, IR and ab initio MD Study"
Phys. Chem. Chem. Phys. 2017, 19 (2), 1010–1028.     (DOI 10.1039/C6CP06677A ) ⭳ Bib
Uses TRAVIS for Power, NC.
2 S. A. Pylaeva, C. Allolio, B. Koeppe, G. S. Denisov, H.-H. Limbach, D. Sebastiani, P. M. Tolstoy:
"Proton Transfer in a Short Hydrogen Bond Caused by Solvation Shell Fluctuations: An ab initio MD and NMR/UV Study of an (OHO)-Bonded System"
Phys. Chem. Chem. Phys. 2015, 17 (6), 4634–4644.     (DOI 10.1039/C4CP04727C ) ⭳ Bib
Uses TRAVIS for CDF, Aggr.
1 G. Bekçioğlu, C. Allolio, D. Sebastiani:
"Water Wires in Aqueous Solutions from First-Principles Calculations"
J. Phys. Chem. B 2015, 119 (10), 4053–4060.     (DOI 10.1021/jp5121417 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

Only showing results by author “Allolio, C.”. Show all citations.

Go to Article List, go to Journal List.

11 different authors contributed to the 4 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
4(show)Allolio, C.
3(show)Sebastiani, D.
2(show)Denisov, G. S.
2(show)Koeppe, B.
2(show)Limbach, H.-H.
2(show)Pylaeva, S. A.
2(show)Tolstoy, P. M.
1(show)Bekçioğlu, G.
1(show)Harries, D.
1(show)Nibbering, E. T. J.
1(show)Shumilin, I.

— Journal List —

Only showing results by author “Allolio, C.”. Show all citations.

Go to Article List, go to Author List.

The 4 articles shown above were published in 3 different journals.

CitationsJournal Name
2(show)Phys. Chem. Chem. Phys.
1(show)J. Am. Chem. Soc.
1(show)J. Phys. Chem. B