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Researchers captured atomic-level insights on the rare-earth mineral monazite to inform future design of flotation collector molecules, illustrated above, that can aid in the recovery of critical materials. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Critical Materials Institute researchers at Oak Ridge National Laboratory and Arizona State University studied the mineral monazite, an important source of rare-earth elements, to enhance methods of recovering critical materials for energy, defense and manufacturing applications.

Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy

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.

Computing – Mining for COVID-19 connections

Scientists have tapped the immense power of the Summit supercomputer at Oak Ridge National Laboratory to comb through millions of medical journal articles to identify potential vaccines, drugs and effective measures that could suppress or stop the

VERA, the Virtual Environment for Reactor Applications

Nuclear scientists at Oak Ridge National Laboratory have established a Nuclear Quality Assurance-1 program for a software product designed to simulate today’s commercial nuclear reactors – removing a significant barrier for industry adoption of the technology.

Small modular reactor computer simulation

In a step toward advancing small modular nuclear reactor designs, scientists at Oak Ridge National Laboratory have run reactor simulations on ORNL supercomputer Summit with greater-than-expected computational efficiency.

Laminations such as these are compiled to form the core of modern electric vehicle motors. ORNL has developed a software toolkit to speed the development of new motor designs and to improve the accuracy of their real-world performance.

Oak Ridge National Laboratory scientists have created open source software that scales up analysis of motor designs to run on the fastest computers available, including those accessible to outside users at the Oak Ridge Leadership Computing Facility.

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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