Today at Berkeley Lab

Density Functional Theory: The State of the Art

natrevmats20154-f1Kristin Persson, Anubhav Jain, and Yongwoon Shin (Energy Technologies Area) highlight density functional theory studies predicting energy-related materials that were subsequently confirmed experimentally, in a recent Nature Review Materials paper. The study shows what materials have actually been predicted before they were made and work as predicted in an energy application. More>