8 datasets found

Molecular dynamics trajectories, scripts, and dynamic density functional code related to the publication.

Scripts and trajectories related to the publication

Data, input files, force field parameters

Data, input files and force field parameters

Simulation of the diffusion in polymer melts in an array of obstacles (here: carbon nanotubes) using the Roberto method (HPFZ-MD + slip-springs).

Data for this article and the ESI, including all data of the presented figures

Resources related to Braun, Franziska, Aritra K. Mukhopadhyay, Samad Mahmoudi, Kevin Gräff, Atieh Razavi, Carina Schneider, Sierk Lessnau, Benno Liebchen, and Regine von...

This dataset provides benchmark and validation for rheological properties, specifically shear viscosity, obtained using hybrid particle-field (hPF/HPF) molecular dynamics. In...