  A Materials Project based open-source Python tool, MPInterfaces, has been
developed to automate the high-throughput computational screening and study of
interfacial systems. The framework encompasses creation and manipulation of
interface structures for solid/solid hetero-structures, solid/implicit solvents
systems, nanoparticle/ligands systems; and the creation of simple
system-agnostic workflows for in depth computational analysis using
density-functional theory or empirical energy models. The package leverages
existing open-source high-throughput tools and extends their capabilities
towards the understanding of interfacial systems. We describe the various
algorithms and methods implemented in the package. Using several test cases, we
demonstrate how the package enables high-throughput computational screening of
advanced materials, directly contributing to the Materials Genome Initiative
(MGI), which aims to accelerate the discovery, development, and deployment of
new materials.
