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:
Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018).
— Work Citing TRAVIS —
This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 539 such publications, written by 1201 different authors.
512 out of these (94.99 %) actually used TRAVIS for results in the manuscript.
Only showing results by author “Mancini, G.”. Show all citations.
Go to Author List, go to Journal List.
6 citations match the query. Show continuous list view.
— 2020 —
|6||M. Busato, A. Melchior, V. Migliorati, A. Colella, I. Persson, G. Mancini, D. Veclani, P. D’Angelo:|
"Elusive Coordination of the Ag+ Ion in Aqueous Solution: Evidence for a Linear Structure"
Inorg. Chem. 2020, 59 (23), 17291–17302. (DOI 10.1021/acs.inorgchem.0c02494 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, SFac.
— 2018 —
|5||F. Sessa, V. Migliorati, A. Serva, A. Lapi, G. Aquilanti, G. Mancini, P. D'Angelo:|
"On the Coordination of Zn2+ Ion in Tf2N− Based Ionic Liquids: Structural and Dynamic Properties Depending on the Nature of the Organic Cation"
Phys. Chem. Chem. Phys. 2018, 20 (4), 2662–2675. (DOI 10.1039/C7CP07497B ) ⭳ Bib
Uses TRAVIS for SDF.
|4||M. Macchiagodena, G. Mancini, M. Pagliai, G. Cardini, V. Barone:|
"New Atomistic Model of Pyrrole with Improved Liquid State Properties and Structure"
Int. J. Quantum Chem. 2018, 118 (9), e25554. (DOI 10.1002/qua.25554 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, 3D CDF, SFac, Aggr.
— 2017 —
|3||M. Macchiagodena, G. D. Frate, G. Brancato, B. Chandramouli, G. Mancini, V. Barone:|
"Computational Study of the DPAP Molecular Rotor in Various Environments: From Force Field Development to Molecular Dynamics Simulations and Spectroscopic Calculations"
Phys. Chem. Chem. Phys. 2017, 19 (45), 30590–30602. (DOI 10.1039/C7CP04688J ) ⭳ Bib
Uses TRAVIS for RDF, MSD, RDyn.
|2||M. Macchiagodena, G. Mancini, M. Pagliai, G. D. Frate, V. Barone:|
"Fine-Tuning of Atomic Point Charges: Classical Simulations of Pyridine in Different Environments"
Chem. Phys. Lett. 2017, 677, 120–126. (DOI 10.1016/j.cplett.2017.04.004 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF.
— 2016 —
|1||M. Macchiagodena, G. Mancini, M. Pagliai, V. Barone:|
"Accurate Prediction of Bulk Properties in Hydrogen Bonded Liquids: Amides as Case Studies"
Phys. Chem. Chem. Phys. 2016, 18 (36), 25342–25354. (DOI 10.1039/C6CP04666E ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF.
— Author List —
Go to Article List, go to Journal List.
20 different authors contributed to the 6 articles shown above.
|Citations ↓ A–Z||Author Name ↓ A–Z|
|2||(show)||Frate, G. D.|
— Journal List —
Go to Article List, go to Author List.
The 6 articles shown above were published in 4 different journals.
|3||(show)||Phys. Chem. Chem. Phys.|
|1||(show)||Chem. Phys. Lett.|
|1||(show)||Int. J. Quantum Chem.|