Supporting Material for manuscript "Structure Prediction of Ionic Epitaxial Interfaces with Ogre Demonstrated for Colloidal Heterostructures of Lead Halide Perovskites"

This database contains the Supporting Material for the ChemrXiv preprint entitled "Fast Prediction of Ionic Epitaxial Interfaces with Ogre Demonstrated for Colloidal Heterostructures of Lead Halide Perovskites", authored by Stefano Toso, Derek Dardzinski, Liberato Manna and Noa Marom. The database contains: · Ogre simulations for all the epitaxial interfaces discussed in the manuscript, provided as raw output. · Installation wizards for the OgreInterface application (available for Windows, Linux, and Mac). · Jupyter Notebook interface to run the Ogre library with more flexibility. · Jupyter Notebook interface to reproduce all simulations discussed in the manuscript. · Reference CIFs for all the materials discussed in the manuscript. · VESTA atomistic models of all the interfaces discussed in the manuscript (Main Text only).