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Building a better battery with machine learning

Instead, researchers at the U.S. Department of Energy’s (DOE) Argonne National Laboratory have turned to the power of machine learning and artificial intelligence to dramatically accelerate the process of battery discovery.

As described in two new papers, Argonne researchers first created a highly accurate database of roughly 133,000 small organic molecules that could form the basis of battery electrolytes. To do so, they used a computationally intensive model called G4MP2. This collection of molecules, however, represented only a small subset of 166 billion larger molecules that scientists wanted to probe for electrolyte candidates.

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