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 in journal “J. Phys. Chem. Lett.”. Show all citations.

Go to Author List, go to Journal List.

13 citations match the query.  Show continuous list view.

— 2023 —

13 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.
12 B. Martínez-Haya, J. R. Avilés-Moreno, F. Gámez, J. Martens, J. Oomens, G. Berden:
"A Dynamic Proton Bond: MH+·H2O <-> M·H3O+ Interconversion in Loosely Coordinated Environments"
J. Phys. Chem. Lett. 2023, 14 (5), 1294–1300.     (DOI 10.1021/acs.jpclett.2c03832 ) ⭳ Bib
Uses TRAVIS for Spec.
11 M.-A. Codescu, T. Kunze, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering:
"Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole"
J. Phys. Chem. Lett. 2023, 14 (20), 4775–4785.     (DOI 10.1021/acs.jpclett.3c00595 ) ⭳ Bib
Uses TRAVIS for CDF.

— 2021 —

10 K. Drużbicki, R. Lavén, J. Armstrong, L. Malavasi, F. Fernandez-Alonso, M. Karlsson:
"Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites"
J. Phys. Chem. Lett. 2021, 12 (14), 3503–3508.     (DOI 10.1021/acs.jpclett.1c00616 ) ⭳ Bib
Uses TRAVIS for Power.

— 2019 —

9 O. Hollóczki, R. Macchieraldo, B. Gleede, S. R. Waldvogel, B. Kirchner:
"Interfacial Domain Formation Enhances Electrochemical Synthesis"
J. Phys. Chem. Lett. 2019, 10 (6), 1192–1197.     (DOI 10.1021/acs.jpclett.9b00112 ) ⭳ Bib
Uses TRAVIS for RDF.
8 M. Pagliai, M. Macchiagodena, P. Procacci, G. Cardini:
"Evidence of a Low–High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study"
J. Phys. Chem. Lett. 2019, 10 (20), 6414–6418.     (DOI 10.1021/acs.jpclett.9b02724 ) ⭳ Bib
Uses TRAVIS for CDF.
7 T. Cosby, U. Kapoor, J. K. Shah, J. Sangoro:
"Mesoscale Organization and Dynamics in Binary Ionic Liquid Mixtures"
J. Phys. Chem. Lett. 2019, 10 (20), 6274–6280.     (DOI 10.1021/acs.jpclett.9b02478 ) ⭳ Bib
Uses TRAVIS for Domain.

— 2017 —

6 M. Brehm, M. Thomas:
"Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics Simulations"
J. Phys. Chem. Lett. 2017, 8 (14), 3409–3414.     (DOI 10.1021/acs.jpclett.7b01616 ) ⭳ Bib
Uses TRAVIS for Spec.
5 A. Mariani, R. Caminiti, F. Ramondo, G. Salvitti, F. Mocci, L. Gontrani:
"Inhomogeneity in Ethylammonium Nitrate–Acetonitrile Binary Mixtures: The Highest “low Q Excess” Reported to Date"
J. Phys. Chem. Lett. 2017, 8 (15), 3512–3522.     (DOI 10.1021/acs.jpclett.7b01244 ) ⭳ Bib

— 2016 —

4 M. Thomas, B. Kirchner:
"Classical Magnetic Dipole Moments for the Simulation of Vibrational Circular Dichroism by ab initio Molecular Dynamics"
J. Phys. Chem. Lett. 2016, 7 (3), 509–513.     (DOI 10.1021/acs.jpclett.5b02752 ) ⭳ Bib
Uses TRAVIS for Spec.
3 C. Zhang, J. Hutter, M. Sprik:
"Computing the Kirkwood G-Factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water"
J. Phys. Chem. Lett. 2016, 7 (14), 2696–2701.     (DOI 10.1021/acs.jpclett.6b01127 ) ⭳ Bib
2 S. Luber:
"Sum Frequency Generation of Acetonitrile on a Rutile (110) Surface from Density Functional Theory-Based Molecular Dynamics"
J. Phys. Chem. Lett. 2016, 7 (24), 5183–5187.     (DOI 10.1021/acs.jpclett.6b02530 ) ⭳ Bib
Uses TRAVIS for Power, Spec.

— 2015 —

1 Y. Crespo, A. Hassanali:
"Unveiling the Janus-Like Properties of OH–"
J. Phys. Chem. Lett. 2015, 6 (2), 272–278.     (DOI 10.1021/jz502286b ) ⭳ Bib
Uses TRAVIS for Spec.

— Author List —

Only showing results in journal “J. Phys. Chem. Lett.”. Show all citations.

Go to Article List, go to Journal List.

49 different authors contributed to the 13 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
2(show)Brehm, M.
2(show)Kirchner, B.
2(show)Thomas, M.
1(show)Armstrong, J.
1(show)Avilés-Moreno, J. R.
1(show)Berden, G.
1(show)Berthin, R.
1(show)Caminiti, R.
1(show)Cardini, G.
1(show)Codescu, M.-A.
1(show)Cosby, T.
1(show)Crespo, Y.
1(show)Drużbicki, K.
1(show)Fontaine, O.
1(show)Gámez, F.
1(show)Gleede, B.
1(show)Gontrani, L.
1(show)Hassanali, A.
1(show)Hollóczki, O.
1(show)Hutter, J.
1(show)Fernandez-Alonso, F.
1(show)Kapoor, U.
1(show)Karlsson, M.
1(show)Kornilov, O.
1(show)Kunze, T.
1(show)Lavén, R.
1(show)Luber, S.
1(show)Macchiagodena, M.
1(show)Macchieraldo, R.
1(show)Malavasi, L.
1(show)Mariani, A.
1(show)Martens, J.
1(show)Martínez-Haya, B.
1(show)Mocci, F.
1(show)Nibbering, E. T. J.
1(show)Oomens, J.
1(show)Pagliai, M.
1(show)Procacci, P.
1(show)Ramondo, F.
1(show)Salanne, M.
1(show)Salvitti, G.
1(show)Sangoro, J.
1(show)Sebastiani, D.
1(show)Serva, A.
1(show)Shah, J. K.
1(show)Sprik, M.
1(show)Waldvogel, S. R.
1(show)Weiß, M.
1(show)Zhang, C.

— Journal List —

Only showing results in journal “J. Phys. Chem. Lett.”. Show all citations.

Go to Article List, go to Author List.

The 13 articles shown above were published in 1 different journals.

CitationsJournal Name
13(show)J. Phys. Chem. Lett.