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 “Lourenço, T. C.”. Show all citations.

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

6 T. C. Lourenço, L. M. S. Barros, C. G. Anchieta, T. C. M. Nepel, J. P. O. Júlio, L. G. Dias, R. M. Filho, G. Doubek, J. L. F. D. Silva:
"Tuning Aprotic Solvent Properties with Long Alkyl Chain Ionic Liquid for Lithium-Based Electrolytes"
J. Mater. Chem.A 2022, 10 (21), 11684–11701.     (DOI 10.1039/D1TA10592B ) ⭳ Bib
Uses TRAVIS for CDF, SFac, MSD.
5 T. C. Lourenço, M. Ebadi, M. Panzer, D. Brandell, L. Costa:
"A Molecular Dynamics Study of a Fully Zwitterionic Copolymer/Ionic Liquid-Based Electrolyte: Li+ Transport Mechanisms and Ionic Interactions"
J. Comput. Chem. 2021, 42 (23), 1689–1703.     (DOI 10.1002/jcc.26706 ) ⭳ Bib
4 T. C. Lourenço, L. G. Dias, J. L. F. D. Silva:
"Theoretical Investigation of the Na+ Transport Mechanism and the Performance of Ionic Liquid-Based Electrolytes in Sodium-Ion Batteries"
ACS Appl. Energy Mater. 2021, 4 (5), 4444–4458.     (DOI 10.1021/acsaem.1c00059 ) ⭳ Bib
3 T. C. Lourenço, Y. Zhang, L. T. Costa, E. J. Maginn:
"A Molecular Dynamics Study of Lithium-Containing Aprotic Heterocyclic Ionic Liquid Electrolytes"
J. Chem. Phys. 2018, 148 (19), 193834.     (DOI 10.1063/1.5016276 ) ⭳ Bib
2 T. C. Lourenço, S. Aparicio, G. C. Costa, L. T. Costa:
"Local Environment Structure and Dynamics of CO2 in the 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide and Related Ionic Liquids"
J. Chem. Phys. 2017, 146 (10), 104502.     (DOI 10.1063/1.4977786 ) ⭳ Bib
1 A. S. Paluch, T. C. Lourenço, F. Han, L. T. Costa:
"Understanding the Solubility of Acetaminophen in 1-n-Alkyl-3-methylimidazolium-Based Ionic Liquids Using Molecular Simulation"
J. Phys. Chem. B 2016, 120 (13), 3360–3369.     (DOI 10.1021/acs.jpcb.5b11648 ) ⭳ Bib
Uses TRAVIS for SDF.

— Author List —

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

Go to Article List, go to Journal List.

20 different authors contributed to the 6 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Lourenço, T. C.
3(show)Costa, L. T.
2(show)Dias, L. G.
2(show)Silva, J. L. F. D.
1(show)Anchieta, C. G.
1(show)Aparicio, S.
1(show)Barros, L. M. S.
1(show)Brandell, D.
1(show)Costa, G. C.
1(show)Costa, L.
1(show)Doubek, G.
1(show)Ebadi, M.
1(show)Han, F.
1(show)Filho, R. M.
1(show)Júlio, J. P. O.
1(show)Maginn, E. J.
1(show)Nepel, T. C. M.
1(show)Paluch, A. S.
1(show)Panzer, M.
1(show)Zhang, Y.

— Journal List —

Only showing results by author “Lourenço, T. C.”. 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. Energy Mater.
1(show)J. Comput. Chem.
1(show)J. Mater. Chem.A
1(show)J. Phys. Chem. B