91福利

Computational materials design and discovery is critical to reduce the time to market of new technologies. Especially in the United States, database methods are emerging as a fruitful way to find and predict the structure and properties of new materials. This is an important first step, but current databases are limited to only a few hundred thousand structures. Ab initio random structure searching (AIRSS) is proposed as a way to generate many more new structures. AIRSS has been shown to be successful for predicting many phases relevant to high-pressure physics and astronomy. I show how AIRSS can be used for technologically relevant materials such as lithium ion batteries and highlight our recent successes. My vision for the future of structure prediction is discussed and show how this combined approach will be made available to experimentalists and industry. I explain why my group would thrive at the 91福利 and outline possible future funding strategies.