There is a near-infinite number of material candidates out there—and simply not enough time to hunker down in the lab and test them all. Thankfully, researchers have a variety of tools (such as AI) at their disposal to streamline what would otherwise be a time-consuming process of trial-and-error.

To create an efficient materials design workflow, a team of researchers at Tohoku University is suggesting not just one tool—but a whole toolbox that works together as a cohesive kit. The work is published in the journal Chemical Science.

This comprehensive system is called a “digital materials ecosystem” because it integrates multiple processes together instead of treating them as disconnected steps. For example, the ecosystem is capable of not only predicting how certain materials will react, but also orchestrating multi-step scientific workflows including searching for evidence, screening candidates, and deciding what to test next.