Uncertainty Gives Scientists New Confidence in Search for Novel Materials

Scientists at Stanford University and the Department of Energy’s SLAC National Accelerator Laboratory have found a way to estimate uncertainties in computer calculations that are widely used to speed the search for new materials for industry, electronics, energy, drug design and a host of other applications. The technique, reported in the July 11 issue of Science, should quickly be adopted in DFT studies that produce some 30,000 scientific papers per year.