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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.

This simulation of a fusion plasma calculation result shows the interaction of two counter-streaming beams of super-heated gas. Credit: David L. Green/Oak Ridge National Laboratory, U.S. Dept. of Energy

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.