Kavli Affiliate: Kristin Persson | First 5 Authors: Stefano Curtarolo, Dane Morgan, Kristin Persson, John Rodgers, Gerbrand Ceder | Summary: Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures, or […]

Continue.. Predicting Crystal Structures with Data Mining of Quantum Calculations