New AI tools accelerate the discovery of truly new materials

Material Innovation Factory, University of Liverpool.Credit: University of Liverpool

Researchers at the University of Liverpool have created a collaborative artificial intelligence tool that reduces the time and effort required to discover truly new materials.

Report to journal Nature Communications, New tools have already led to the discovery of four new materials, including a new family of solid materials that conduct lithium. Such solid electrolytes are the key to the development of all-solid-state batteries that can extend the distance and improve safety of electric vehicles. More promising materials are under development.

This tool combines artificial intelligence with human knowledge to prioritize the parts of the unexplored chemical space where new functional materials are most likely to be found.

Discovering new functional materials is risky, complex, and many because there is an infinite space of materials that can be accessed by combining all the elements of the periodic table and it is not known where the new materials are. In the case of, it’s a long way.

The new AI tool was developed to address this challenge by a team of researchers at the University of Liverpool’s Chemistry and Materials Innovation Factory, led by Professor Matthew Rosseinsky.

This tool examines relationships between known materials on a scale unattainable by humans. These relationships are used to identify and numerically rank the combinations of elements that may form new materials. Rankings are used by scientists to guide the exploration of large unknown chemical spaces in a targeted manner, making experimental research much more efficient. These scientists are informed from the various perspectives provided by AI to make the final decision.

Professor Matt Rosainsky, the lead author of the treatise, said:

“Therefore, we need new tools that reduce the time and effort required to discover truly new materials, such as those developed here that combine artificial intelligence with artificial intelligence. Human intelligence To take advantage of both.

“this Collaborative approach It combines hundreds of thousands of known materials, scales that humans cannot achieve, and the ability of computers to examine the relationship between human researcher expertise and critical thinking that leads to creative progress.

“this tool One example of many collaborations Artificial intelligence An approach that may benefit scientists in the future. “

Social capabilities to solve global challenges such as energy and sustainability are better solar absorbers to make better solar panels, better battery materials to make long-range electric vehicles, or less toxic. Or a rare element.

These new materials generate social benefits by driving new technologies to address global challenges and reveal new scientific phenomena and understandings. All modern portable electronic devices are made possible by the materials of lithium-ion batteries developed in the 1980s. This emphasizes how only one material class can change our lives. new material It opens up unimaginable technological possibilities for our future.

Scientists taking a new step in the development of microelectronics

For more information:
Element selection for the discovery of crystalline inorganic solids, guided by experimentally explored chemistry unsupervised machine learning, Nature Communications (2021). DOI: 10.1038 / s41467-021-25343-7

Quote: The new AI tool is a truly new material acquired from on September 21, 2021 (2021, September 21). Accelerate the discovery of the day)

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New AI tools accelerate the discovery of truly new materials

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