Exploratory Synthesis

In the modern age of data science, there is more catalogued and query-able materials data than ever before. We employ high-throughput computational materials discovery techniques to survey uncharted chemical spaces for novel synthesizable materials, constructing large stability maps to help guide exploratory synthesis. Using data-mining and machine-learning algorithms, we aim to explain the complex interplay between chemistry, composition, and electronic structure in governing large-scale stability trends across broad materials spaces.

A Map of the Inorganic Ternary Metal Nitrides

• The thermodynamic scale of inorganic crystalline metastability, Science Advances, (2016)
• Thermodynamic routes to novel metastable nitrogen-rich nitrides, Chemistry of Materials (2017)
• A map of the inorganic ternary metal nitrides, Nature Materials (2019)