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Mar 25, 2024 -
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling
Jupyter Notebook - 13.9 KB -
MD5: d957c9738d63d3799e9f58fa5e537561
Jupyter notebook for the calculation of 3D densities with DFT. |
Mar 25, 2024 -
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling
Jupyter Notebook - 24.3 KB -
MD5: b37164da772808542c2aa08c12a0d1c6
Notebook for the calculation of viscosity and velocity profiles from entropy scaling for inhomogeneous systems. |
Mar 25, 2024 -
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling
Jupyter Notebook - 46.5 KB -
MD5: 20dcff51834d1aef135c432f0e713da3
Jupyter notebook for the generation of all plots of the extrapolation study. |
Mar 25, 2024 -
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling
Python Source Code - 3.1 KB -
MD5: d99cf2cd45489cf3bb719ee5c2cc6b67
Postprocessing script for NEMD simulations. |
Mar 1, 2024 -
Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Jupyter Notebook - 17.9 KB -
MD5: d6ea8c0acd6f60f6fa017fb768e99019
Jupyter notebook for calculating solvation free energies. |
Mar 1, 2024 -
Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Jupyter Notebook - 1.2 MB -
MD5: d014dee19d93c0e10f86134138e475cb
Jupyter notebook for recreating all figures of the publication. |