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Scientists from the Critical Materials Institute used the Titan supercomputer and Eos computing cluster at ORNL to analyze designer molecules that could increase the yield of rare earth elements found in bastnaesite, an important mineral 

ORNL researchers are developing an idealized collector molecule that has a shape complementary to the surface atomic structure of xenotime, a rare earth yttrium-rich phosphate mineral.

Ensuring a reliable supply of rare earth elements, including four key lanthanides and yttrium, is a major goal of the Critical Materials Institute (https://cmi.ameslab.gov) as these elements are essential to many clean-energy technologies. These include energy-efficient lighting, ...