Peng Xu is a postdoc at Cornell University, currently working with Neil Ashcroft and Roald Hoffmann on the prediction of structures in the as yet unknown LiF₃ system under ultra-high pressure. This work uses particle-swarm optimization algorithm in combination with VASP computation package to search for exotic structures of Li: F mixture of stoichiometry 1:3 at terapascal pressure.  Peng received her Ph.D. from Iowa State University while working with Professsor Mark S. Gordon.