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Ashley Barker. Credit: Carlos Jones/ORNL

At the National Center for Computational Sciences, Ashley Barker enjoys one of the least complicated–sounding job titles at ORNL: section head of operations. But within that seemingly ordinary designation lurks a multitude of demanding roles as she oversees the complete user experience for NCCS computer systems.

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