Published March 20, 2023
| Version 0.1.0
Dataset
Open
EMD data for the paper "Impact of ad-hoc post-processing parameters on the lubricant viscosity calculated with equilibrium molecular dynamics simulations"
Authors/Creators
- 1. Soete Laboratory, Ghent University, Technologiepark-Zwijnaarde 46, 9052 Ghent, Belgium
- 2. Center for Molecular Modeling (CMM), Ghent University, Technologiepark-Zwijnaarde 46, 9052, Ghent, Belgium
Description
This archive contains the data obtained from EMD simulations of 2,2,4-Trimethylhexane lubricant molecule under various operating conditions. The EMD simulations were performed using LAMMPS with COMPASS force field. (See manuscript for details.)