This dataset was generated for our work: "Tunable Assembly of Host–Guest Colloidal Crystals". The data set contains data for 5 different binary systems of star particles and convex guests, and one system of only star particles. All simulation were formed at constant pressure. The data set contains GSD files for each of the simulations used in this work along with the corresponding python code used to produce the simulations.
We also include the python code and jupyter notebook to produce the free volume calculations used in this work. and How to use this Data:
Simulation Data:
We include GSD files that can be uploaded into a visualization or analysis software such as Ovito or Freud for independent analysis.
Simulation python scripts (workspaces_for_HPMC_simulations.zip):
We include the python scripts used in this work for simulating host guest systems at constant pressure.
Free Volume Data (Free_volume_calculations_and_analysis.zip):
You can run the jupyter notebook included here to reproduce the free volume analysis for this work.
We also include the python scripts for the free volume calculation python scripts that get the data for these free volume calculations.
