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).

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 by author “Iannuzzi, M.”. Show all citations.

Go to Author List, go to Journal List.

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

6 J. Hutter, M. Iannuzzi, T. D. Kühne:
"Ab initio Molecular Dynamics: A Guide to Applications"
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering 2023.     (DOI 10.1016/B978-0-12-821978-2.00096-9 ) ⭳ Bib
5 M. Pauletti, V. V. Rybkin, M. Iannuzzi:
"Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn–Sham Accuracy"
J. Chem. Theory Comput. 2021, 17 (10), 6423–6431.     (DOI 10.1021/acs.jctc.1c00592 ) ⭳ Bib
Uses TRAVIS for Power.
4 T. D. Kühne, M. Iannuzzi, M.Del Ben, V. V. Rybkin, P. Seewald, F. Stein, T. Laino, R. Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M. H. Bani-Hashemian, V. Weber, U. Borštnik, M. Taillefumier, A. S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G. K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C. J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter:
"CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations"
J. Chem. Phys. 2020, 152 (19), 194103.     (DOI 10.1063/5.0007045 ) ⭳ Bib
3 R. Réocreux, T. Jiang, M. Iannuzzi, C. Michel, P. Sautet:
"Structuration and Dynamics of Interfacial Liquid Water at Hydrated γ-Alumina Determined by ab initio Molecular Simulations: Implications for Nanoparticle Stability"
ACS Appl. Nano Mater. 2018, 1 (1), 191–199.     (DOI 10.1021/acsanm.7b00100 ) ⭳ Bib
2 J. Lan, J. Hutter, M. Iannuzzi:
"First-Principles Simulations of an Aqueous CO/Pt(111) Interface"
J. Phys. Chem. C 2018, 122 (42), 24068–24076.     (DOI 10.1021/acs.jpcc.8b05933 ) ⭳ Bib
Uses TRAVIS for Spec.
1 S. Luber, M. Iannuzzi, J. Hutter:
"Raman Spectra from ab initio Molecular Dynamics and Its Application to Liquid S-Methyloxirane"
J. Chem. Phys. 2014, 141 (9), 94503.     (DOI 10.1063/1.4894425 ) ⭳ Bib
Uses TRAVIS for Spec.

— Author List —

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

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46 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Iannuzzi, M.
4(show)Hutter, J.
2(show)Kühne, T. D.
2(show)Rybkin, V. V.
1(show)Andermatt, S.
1(show)Bani-Hashemian, M. H.
1(show)Belleflamme, F.
1(show)Ben, M.Del
1(show)Bethune, I.
1(show)Borštnik, U.
1(show)Bussy, A.
1(show)Chulkov, S.
1(show)Glöß, A.
1(show)Golze, D.
1(show)Guidon, M.
1(show)Holmberg, N.
1(show)Hehn, A.
1(show)Jakobovits, A. S.
1(show)Jiang, T.
1(show)Khaliullin, R. Z.
1(show)Krack, M.
1(show)Laino, T.
1(show)Lan, J.
1(show)Lass, M.
1(show)Lazzaro, A.
1(show)Luber, S.
1(show)Michel, C.
1(show)Müller, T.
1(show)Mundy, C. J.
1(show)Pabst, H.
1(show)Pauletti, M.
1(show)Plessl, C.
1(show)Réocreux, R.
1(show)Sautet, P.
1(show)Schade, R.
1(show)Schütt, O.
1(show)Schenter, G. K.
1(show)Schiffmann, F.
1(show)Seewald, P.
1(show)Stein, F.
1(show)Tabacchi, G.
1(show)Taillefumier, M.
1(show)VandeVondele, J.
1(show)Watkins, M.
1(show)Weber, V.
1(show)Wilhelm, J.

— Journal List —

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

Go to Article List, go to Author List.

The 6 articles shown above were published in 5 different journals.

CitationsJournal Name
2(show)J. Chem. Phys.
1(show) ACS Appl. Nano Mater.
1(show)J. Chem. Theory Comput.
1(show)J. Phys. Chem. C
1(show)Reference Module in Chemistry, Molecular Sciences and Chemical Engineering