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 “Perlt, E.”. Show all citations.

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

4 S. Taherivardanjani, R. Elfgen, W. Reckien, E. Suarez, E. Perlt, B. Kirchner:
"Benchmarking the Computational Costs and Quality of Vibrational Spectra from ab initio Simulations"
Adv. Theory Simul. 2021, 120, 2100293.     (DOI 10.1002/adts.202100293 ) ⭳ Bib
Uses TRAVIS for Spec.
3 S. G. Balasubramani, G. P. Chen, S. Coriani, M. Diedenhofen, M. S. Frank, Y. J. Franzke, F. Furche, R. Grotjahn, M. E. Harding, C. Hättig, A. Hellweg, B. Helmich-Paris, C. Holzer, U. Huniar, M. Kaupp, A. M. Khah, S. K. Khani, T. Müller, F. Mack, B. D. Nguyen, S. M. Parker, E. Perlt, D. Rappoport, K. Reiter, S. Roy, M. Rückert, G. Schmitz, M. Sierka, E. Tapavicza, D. P. Tew, C. van Wüllen, V. K. Voora, F. Weigend, A. Wodyński, J. M. Yu:
"TURBOMOLE: Modular Program Suite for ab initio Quantum-Chemical and Condensed-Matter Simulations"
J. Chem. Phys. 2020, 152 (18), 184107.     (DOI 10.1063/5.0004635 ) ⭳ Bib
2 E. Perlt, P. Ray, A. Hansen, F. Malberg, S. Grimme, B. Kirchner:
"Finding the Best Density Functional Approximation to Describe Interaction Energies and Structures of Ionic Liquids in Molecular Dynamics Studies"
J. Chem. Phys. 2018, 148 (19), 193835.     (DOI 10.1063/1.5013122 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, SFac.
1 E. Perlt, M. Brüssel, B. Kirchner:
"Floating Orbital Molecular Dynamics Simulations"
Phys. Chem. Chem. Phys. 2014, 16 (15), 6997.     (DOI 10.1039/c3cp54797c ) ⭳ Bib
Uses TRAVIS for Power.

— Author List —

Only showing results by author “Perlt, E.”. Show all citations.

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45 different authors contributed to the 4 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
4(show)Perlt, E.
3(show)Kirchner, B.
1(show)Balasubramani, S. G.
1(show)Brüssel, M.
1(show)Chen, G. P.
1(show)Coriani, S.
1(show)Diedenhofen, M.
1(show)Elfgen, R.
1(show)Frank, M. S.
1(show)Franzke, Y. J.
1(show)Furche, F.
1(show)Grimme, S.
1(show)Grotjahn, R.
1(show)Hansen, A.
1(show)Harding, M. E.
1(show)Hättig, C.
1(show)Holzer, C.
1(show)Huniar, U.
1(show)Hellweg, A.
1(show)Helmich-Paris, B.
1(show)Kaupp, M.
1(show)Khah, A. M.
1(show)Khani, S. K.
1(show)Mack, F.
1(show)Malberg, F.
1(show)Müller, T.
1(show)Nguyen, B. D.
1(show)Parker, S. M.
1(show)Rappoport, D.
1(show)Ray, P.
1(show)Reckien, W.
1(show)Reiter, K.
1(show)Roy, S.
1(show)Rückert, M.
1(show)Schmitz, G.
1(show)Sierka, M.
1(show)Suarez, E.
1(show)Taherivardanjani, S.
1(show)Tapavicza, E.
1(show)Tew, D. P.
1(show)van Wüllen, C.
1(show)Voora, V. K.
1(show)Weigend, F.
1(show)Wodyński, A.
1(show)Yu, J. M.

— Journal List —

Only showing results by author “Perlt, E.”. 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)J. Chem. Phys.
1(show)Adv. Theory Simul.
1(show)Phys. Chem. Chem. Phys.