The hydrogen‐rich superconductors stabilized at high‐pressure conditions have been the subject of topic interests. There is an essential hope that hydrogen‐rich superconductors are promising candidates of room‐temperature superconductors. Recent advances in first‐principles crystal structure prediction techniques have opened up the possibility of reliable prediction of superconductive structures, and subsequent superconductivity calculations based on phonon‐mediated superconducting mechanism revealed a general appearance of high temperature superconductivity in pressurized hydrides. Theory‐orientated experiments at high pressure discovered a number of hydrogen‐rich superconductors, among which sulfur hydrides exhibit a remarkably high superconducting critical temperature reaching 203 K. In this review, we discuss the emerging research activities towards hydrogen‐rich superconductors at high pressures and outlook the future direction in the field. WIREs Comput Mol Sci 2018, 8:e1330. doi: 10.1002/wcms.1330 This article is categorized under: Structure and Mechanism > Computational Materials Science
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