Discoveries in weeks, not years: How AI and high-performance computing are speeding up scientific discovery

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Computing has already accelerated scientific discovery. Now scientists say a combination of advanced AI with next-generation cloud computing is turbocharging the pace of discovery to speeds unimaginable just a few years ago.

Microsoft and the Pacific Northwest National Laboratory (PNNL) in Richland, Washington, are collaborating to demonstrate how this acceleration can benefit chemistry and materials science – two scientific fields pivotal to finding energy solutions that the world needs.

Scientists at PNNL are testing a new battery material that was found in a matter of weeks, not years, as part of the collaboration with Microsoft to use to advanced AI and high-performance computing (HPC), a type of cloud-based computing that combines large numbers of computers to solve complex scientific and mathematical tasks.

As part of this effort, the Microsoft Quantum team used AI to identify around 500,000 stable materials in the space of a few days.

The new battery material came out of a collaboration using Microsoft’s Azure Quantum Elements to winnow 32 million potential inorganic materials to 18 promising candidates that could be used in battery development in just 80 hours. Most importantly, this work breaks ground for a new way of speeding up solutions for urgent sustainability, pharmaceutical and other challenges while giving a glimpse of the advances that will become possible with quantum computing.

“We think there’s an opportunity to do this across a number of scientific fields,” says Brian Abrahamson, the chief digital officer at PNNL. “Recent technology advancements have opened up the opportunity to accelerate scientific discovery.”

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