Published April 13, 2023 | Version 0.1.1
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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 post-processing 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 and README for details.)

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dataset-emd.zip

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Additional details

Related works

Is previous version of
Dataset: 10.5281/zenodo.15689550 (DOI)