Presentation Information
[C05-5-04]High-throughput DFT prediction of superhydrides and ferroelectrics
*Yue-Wen Fang1, Ion Errea1,2 (1. University of the Basque Country (Spain), 2. Donostia International Physics Center (Spain))
Keywords:
High-throughput DFT calculations,Crystal structure prediction,Ferroelectrics,Superconducting hydrides,Lutetium hydrides,Bismuth oxides