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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.

Physicist Charles Havener uses the NASA end station at ORNL’s Multicharged Ion Research Facility to simulate the origin of X-ray emissions from space. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Scientists are using Oak Ridge National Laboratory’s Multicharged Ion Research Facility to simulate the cosmic origin of X-ray emissions resulting when highly charged ions collide with neutral atoms and molecules, such as helium and gaseous hydrogen.