TRAVIS – Trajectory Analyzer and Visualizer
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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). |
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 “Fakhraee, M.”. Show all citations.
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Show only articles where TRAVIS was used to compute...
... any result (766)
... RDFs (g(r), Radial Distribution Functions) (358)
... Number Integrals / Coordination Numbers (110)
... SDFs (Spatial Distribution Functions) (374)
... CDFs (Combined Distribution Functions) (210)
... 3D CDFs (3)
... Structure Factors / van Howe Correlations (59)
... Density Profiles (30)
... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (86)
... MSDs (Mean Square Displacements), Diffusion Coefficients (78)
... Vector Reorientation Dynamics / Rotational Relaxation Times (17)
... Voronoi Statistics / Surface Coverage / Visualization (20)
... Voronoi-based Domain Analysis (39)
... Power Spectra / Vibrational Density of States (67)
... Vibrational Spectra (IR, Raman, VCD, ROA) (79)
... Bulk Phase Normal Modes (8)
... Order Parameters (3)
... Sankey Diagrams / Hydrogen Bond Topology (8)
... Connection Matrix (8)
6 citations match the query. Show continuous list view.
— 2019 —
| 6 | M. Fakhraee: "Amino Acid Ionic Liquids Based on Imidazolium-Hydroxyl Functionalized Cation: New Insight from Molecular Dynamics Simulations" J. Mol. Liq. 2019, 279, 51–62. (DOI 10.1016/j.molliq.2019.01.109 ) ⭳ Bib Uses TRAVIS for SDF. |
| 5 | M. Fakhraee, O. Akhavan: "Ultrahigh Permeable C2N-Inspired Graphene Nanomesh Membranes Versus Highly Strained C2N for Reverse Osmosis Desalination" J. Phys. Chem. B 2019, 123 (41), 8740–8752. (DOI 10.1021/acs.jpcb.9b07015 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2016 —
| 4 | M. Fakhraee, M. R. Gholami: "Probing the Effects of the Ester Functional Group, Alkyl Side Chain Length and Anions on the Bulk Nanostructure of Ionic Liquids: A Computational Study" Phys. Chem. Chem. Phys. 2016, 18 (14), 9734–9751. (DOI 10.1039/C5CP07057K ) ⭳ Bib |
| 3 | M. Fakhraee, M. R. Gholami: "Effect of Anion and Alkyl Side Chain on Structural and Dynamic Features of Ester Functionalized Ionic Liquids: Confirming Nanoscale Organization" J. Phys. Chem. B 2016, 120 (44), 11539–11555. (DOI 10.1021/acs.jpcb.6b08874 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2014 —
| 2 | M. H. Kowsari, M. Fakhraee, S. Alavi, B. Najafi: "Molecular Dynamics and ab initio Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-based [Tf2N–] Ionic Liquids" J. Chem. Eng. Data 2014, 59 (9), 2834–2849. (DOI 10.1021/je5004675 ) ⭳ Bib Uses TRAVIS for SDF. |
| 1 | M. Fakhraee, B. Zandkarimi, H. Salari, M. R. Gholami: "Hydroxyl-Functionalized 1-(2-Hydroxyethyl)-3-methyl Imidazolium Ionic Liquids: Thermodynamic and Structural Properties Using Molecular Dynamics Simulations and ab initio Calculations" J. Phys. Chem. B 2014, 118 (49), 14410–14428. (DOI 10.1021/jp5083714 ) ⭳ Bib Uses TRAVIS for SDF. |
— Author List —
Only showing results by author “Fakhraee, M.”. Show all citations.
Go to Article List, go to Journal List.
8 different authors contributed to the 6 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Akhavan, O. |
| 1 | (show) | Alavi, S. |
| 6 | (show) | Fakhraee, M. |
| 3 | (show) | Gholami, M. R. |
| 1 | (show) | Kowsari, M. H. |
| 1 | (show) | Najafi, B. |
| 1 | (show) | Salari, H. |
| 1 | (show) | Zandkarimi, B. |
— Journal List —
Only showing results by author “Fakhraee, M.”. Show all citations.
Go to Article List, go to Author List.
The 6 articles shown above were published in 4 different journals.
| Citations | Journal Name | |
|---|---|---|
| 3 | (show) | J. Phys. Chem. B |
| 1 | (show) | J. Chem. Eng. Data |
| 1 | (show) | J. Mol. Liq. |
| 1 | (show) | Phys. Chem. Chem. Phys. |
