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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.

Simulation of short polymer chains

Oak Ridge National Laboratory scientists have discovered a cost-effective way to significantly improve the mechanical performance of common polymer nanocomposite materials.

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.

Salting the gears

Researchers at Oak Ridge National Laboratory proved that a certain class of ionic liquids, when mixed with commercially available oils, can make gears run more efficiently with less noise and better durability.