title: Perspective: crystal structure prediction at high pressures.
abstract: Crystal structure prediction at high pressures unbiased by any prior known structure information has recently become a topic of considerable interest. We here present a short overview of recently developed structure prediction methods and propose current challenges for crystal structure prediction. We focus on first-principles crystal structure prediction at high pressures, paying particular attention to novel high pressure structures uncovered by efficient structure prediction methods. Finally, a brief perspective on the outstanding issues that remain to be solved and some directions for future structure prediction researches at high pressure are presented and discussed.
authors: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China.
authors: Yanchao
authors: Y
authors: Wang
authors: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China.
authors: Yanming
authors: Y
authors: Ma