Engineering news
Developed by researchers at the University of Liverpool, the tool has already led to the discovery of four new materials, including a new family of solid-state materials that conduct lithium. Such solid electrolytes will be key to the development of solid-state batteries, offering longer range and increased safety for electric vehicles, the researchers said. Further promising materials are in development, they added.
The tool brings together AI and human knowledge to prioritise the parts of ‘unexplored chemical space’ where new functional materials are most likely to be found.
“Discovering new functional materials is a high-risk, complex and often long journey, as there is an infinite space of possible materials accessible by combining all of the elements in the periodic table, and it is not known where new materials exist,” a research announcement said.
The AI was developed to address this challenge. It examines the relationships between known materials at a scale “unachievable by humans,” according to the announcement.
The relationships are used to identify and numerically rank combinations of elements that are likely to form new materials. The rankings are used by scientists to guide exploration of the unknown chemical space in a targeted way, making experimental investigation far more efficient. Those scientists make the final decisions, informed by the different perspective offered by the AI.
Lead author of the paper, Professor Matt Rosseinsky, said: “To date, a common and powerful approach has been to design new materials by close analogy with existing ones, but this often leads to materials that are similar to ones we already have.
“We therefore need new tools that reduce the time and effort required to discover truly new materials, such as the one developed here that combines AI and human intelligence to get the best of both.
“This collaborative approach combines the ability of computers to look at the relationships between several hundred thousand known materials, a scale unattainable for humans, and the expert knowledge and critical thinking of human researchers that leads to creative advances.
“This tool is an example of one of many collaborative AI approaches likely to benefit scientists in the future.”
Other areas of interest could include using the tool to identify materials for better solar panels, or replacing toxic materials with safer combinations of elements.
The research was published in Nature Communications.
Join IMechE and Professional Engineering at THE virtual fair for early engineering careers and find your perfect job! Register for EngRec 2021 FREE today.
Content published by Professional Engineering does not necessarily represent the views of the Institution of Mechanical Engineers.