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A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.
The prospect of simulating a fusion plasma is a step closer to reality thanks to a new computational tool developed by scientists in fusion physics, computer science and mathematics at ORNL.
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