Published March 9, 2022
| Version 1.0
Dataset
Open
Supporting dataset for the publication "The crucial role of solvation forces in inter-nanoplatelet interactions and stack formation"
Authors/Creators
- 1. Max Planck Institute for Polymer Research, Mainz, Germany
Description
Here, we provide an example of our umbrella sampling simulations (35.6 nm²×1.5 nm, 4 ligand beads, 250k solvent molecules), the input and output data of our WHAM calculations, and free energy curves. Additional, we provide a modified file of the HOOBAS molecular builder. This file includes the "platelet" class we use to create nonoplatelets in our simulations.