Science Highlights

Illustration of the catalytic oxygen reduction reaction on the surface of platinum-nickel nanoframes with multilayered platinum skin structure.

Multimetal Nanoframes Improve Catalyst Performance

Concentrating noble-metal catalyst atoms on the surface of porous nano-frame alloys shows over thirty-fold increase in performance. Read More »

Changes in the crystal structure and electronic properties of vanadium dioxide (VO2) occur during its insulator-to-metal phase transition (V blue; O red).

Insulator-to-Metal Transition of Vanadium Dioxide

New studies explain the transition, providing a quantitative picture of a 50-year-old mystery. Read More »

Crystal structure of the parent compound of a calcium-strontium-based cuprate superconductor [(Ca/Sr)2CuO3]...

Predicting Magnetic Behavior in Copper Oxide Superconductors

New theoretical techniques predict experimental observations in superconducting materials. Read More »

Difference between calculated and experimentally measured masses of oxygen isotopes as a function of mass number.

Streamlining the Nuclear Force

An optimized nuclear force model yields a high-precision interaction with an unexpected descriptive power. Read More »

Jefferson Lab's K20 supercomputer.

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).

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 Acceleration

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.

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)...

Understanding Nature’s Choreography in Batteries

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

« Previous 1 2 Next »