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 “Zhang, Y.”. Show all citations.

Go to Author List, go to Journal List.

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

9 W. Zhou, Y. Zhang, M. Salanne:
"Effects of Fluoride Salt Addition to the Physico-Chemical Properties of the MgCl2–NaCl–KCl Heat Transfer Fluid: A Molecular Dynamics Study"
Sol. Energy Mater Sol. Cells 2022, 239, 111649.     (DOI 10.1016/j.solmat.2022.111649 ) ⭳ Bib
8 S. Spittle, D. Poe, B. Doherty, C. Kolodziej, L. Heroux, M. A. Haque, H. Squire, T. Cosby, Y. Zhang, C. Fraenza, S. Bhattacharyya, M. Tyagi, J. Peng, R. A. Elgammal, T. Zawodzinski, M. Tuckerman, S. Greenbaum, B. Gurkan, C. Burda, M. Dadmun, E. J. Maginn, J. Sangoro:
"Evolution of Microscopic Heterogeneity and Dynamics in Choline Chloride-Based Deep Eutectic Solvents"
Nat. Commun. 2022, 13, 219.     (DOI 10.1038/s41467-021-27842-z ) ⭳ Bib
Uses TRAVIS for RDF, NI, CDF, Aggr, MSD.
7 T. Zhang, X. Bing, D. Wang, J. Gao, L. Zhang, D. Xu, Y. Zhang, Y. Wang:
"Extraction and Multi-Scale Mechanism Explorations for Separating Indole from Coal Tar via Tetramethylguanidine-Based Ionic Liquids"
J. Environ. Chem. Eng. 2021, 9 (3), 105255.     (DOI 10.1016/j.jece.2021.105255 ) ⭳ Bib
Uses TRAVIS for SDF.
6 K. Bernardino, Y. Zhang, M. C. C. Ribeiro, E. J. Maginn:
"Effect of Alkyl-Group Flexibility on the Melting Point of Imidazolium-Based Ionic Liquids"
J. Chem. Phys. 2020, 153 (4), 44504.     (DOI 10.1063/5.0015992 ) ⭳ Bib
Uses TRAVIS for RDF.
5 Y. Zhang, D. Poe, L. Heroux, H. Squire, B. W. Doherty, Z. Long, M. Dadmun, B. Gurkan, M. E. Tuckerman, E. J. Maginn:
"Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline"
J. Phys. Chem. B 2020, 124 (25), 5251–5264.     (DOI 10.1021/acs.jpcb.0c04058 ) ⭳ Bib
Uses TRAVIS for RDF, SFac, Aggr.
4 Y. Zhang, X. Liu, C. Zhang, X. Lu:
"A Combined First Principles and Classical Molecular Dynamics Study of Clay-Soil Organic Matters (SOMS) Interactions"
Geochim. Cosmochim. Acta 2019, 291, 110–125.     (DOI 10.1016/j.gca.2019.12.022 ) ⭳ Bib
Uses TRAVIS for Spec.
3 M. T. Humbert, Y. Zhang, E. J. Maginn:
"PyLAT: Python LAMMPS Analysis Tools"
J. Chem. Inf. Model. 2019, 59 (4), 1301–1305.     (DOI 10.1021/acs.jcim.9b00066 ) ⭳ Bib
2 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
1 N. P. Walter, A. Jaiswal, Z. Cai, Y. Zhang:
"LiquidLib: A Comprehensive Toolbox for Analyzing Classical and ab initio Molecular Dynamics Simulations of Liquids and Liquid-Like Matter with Applications to Neutron Scattering Experiments"
Comput. Phys. Commun. 2018, 228, 209–218.     (DOI 10.1016/j.cpc.2018.03.005 ) ⭳ Bib

— Author List —

Only showing results by author “Zhang, Y.”. Show all citations.

Go to Article List, go to Journal List.

45 different authors contributed to the 9 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
9(show)Zhang, Y.
5(show)Maginn, E. J.
2(show)Dadmun, M.
2(show)Gurkan, B.
2(show)Heroux, L.
2(show)Poe, D.
2(show)Squire, H.
1(show)Bernardino, K.
1(show)Bhattacharyya, S.
1(show)Bing, X.
1(show)Burda, C.
1(show)Cai, Z.
1(show)Cosby, T.
1(show)Costa, L. T.
1(show)Doherty, B.
1(show)Doherty, B. W.
1(show)Elgammal, R. A.
1(show)Fraenza, C.
1(show)Gao, J.
1(show)Greenbaum, S.
1(show)Haque, M. A.
1(show)Humbert, M. T.
1(show)Jaiswal, A.
1(show)Kolodziej, C.
1(show)Liu, X.
1(show)Long, Z.
1(show)Lourenço, T. C.
1(show)Lu, X.
1(show)Peng, J.
1(show)Ribeiro, M. C. C.
1(show)Salanne, M.
1(show)Sangoro, J.
1(show)Spittle, S.
1(show)Tuckerman, M.
1(show)Tuckerman, M. E.
1(show)Tyagi, M.
1(show)Walter, N. P.
1(show)Wang, D.
1(show)Wang, Y.
1(show)Xu, D.
1(show)Zawodzinski, T.
1(show)Zhang, C.
1(show)Zhang, L.
1(show)Zhang, T.
1(show)Zhou, W.

— Journal List —

Only showing results by author “Zhang, Y.”. Show all citations.

Go to Article List, go to Author List.

The 9 articles shown above were published in 8 different journals.

CitationsJournal Name
2(show)J. Chem. Phys.
1(show)Comput. Phys. Commun.
1(show)Geochim. Cosmochim. Acta
1(show)J. Chem. Inf. Model.
1(show)J. Environ. Chem. Eng.
1(show)J. Phys. Chem. B
1(show)Nat. Commun.
1(show)Sol. Energy Mater Sol. Cells