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Jefferson Lab's K20 supercomputer.June 2013Science Highlight

Supercomputing on a Budget

The optimization of commercial hardware and specialized software enables cost-effective supercomputing. Read More »

Calculations predict the zeolite structure schematically shown in the figure will effectively capture methane from a low-quality natural gas mixture of carbon dioxide (CO2) and methane (CH4).April 2013Science Highlight

Discovery of New Materials to Capture Methane

Predicted materials could economically produce high-purity methane from natural gas systems and separate methane from coal mine ventilation systems. Read More »

Laser Plasma Wakefield AccelerationApril 2013Science Highlight

How Accelerator Physicists Save Time

A boosted frame of reference boosts the speed of calculations. Read More »

The density of bonding electrons (red and yellow) in silicon (upper left) is rather evenly distributed, whereas in zinc oxide (upper right), it is concentrated around the oxygen atoms.March 2013Science Highlight

Understanding How Semiconductors Absorb Light

Advances in how we calculate optical properties of semiconductors shorten the path to improved solar cells and other optoelectronic devices. Read More »

An electrolyte molecule (ethylene carbonate: C3H4O3) weakly binds (dashed line) to the positive electrode surface (Li0.6Mn2O4)...February 2013Science Highlight

Understanding Nature’s Choreography in Batteries

Charge-discharge chemistry for lithium ion batteries elucidated by theoretical calculations. Read More »