High-throughput materials discovery

Obtaining materials with properties that are optimized for a particular application is at the core of materials science. However, materials development traditionally relies on time-consuming and expensive experimental work. High-throughput materials prediction has emerged as a tool for screening large databases of materials, to identify candidate matierials that may have optimized properties for subsequent experimental evaluation.

This collection of papers brings together recent works published in npj Computational Materials that contribute towards high-throughput materials discovery.