Computational electron-phonon superconductivity: from theoretical physics to material science

TL;DR

This paper reviews recent computational predictions of high-temperature superconductors, especially hydrides and related compounds, highlighting advances enabled by exascale computing and discussing the gap between predictions and experimental confirmations.

Contribution

It provides a comprehensive review of the latest computationally predicted superconducting materials from 2023-2024, emphasizing the role of advanced computing in discovering new superconductors.

Findings

Many high-Tc predictions remain unconfirmed experimentally

Some low-temperature superconductors have been successfully synthesized

Exascale computing has significantly expanded material exploration

Abstract

The search for room-temperature superconductors is a major challenge in modern physics. The discovery of copper-oxide superconductors in 1986 brought hope but also revealed complex mechanisms that are difficult to analyze and compute. In contrast, the traditional electron-phonon coupling (EPC) mechanism facilitated the practical realization of superconductivity in metallic hydrogen. Since 2015, the discovery of new hydrogen compounds has shown that EPC can enable room-temperature superconductivity under high pressures, driving extensive research. Advances in computational capabilities, especially exascale computing, now allow for the exploration of millions of materials. This paper reviews newly predicted superconducting systems in 2023-2024, focusing on hydrides, boron-carbon systems, and compounds with nitrogen, carbon, and pure metals. Although many computationally predicted high-Tc superconductors were not experimentally confirmed, some low-temperature superconductors were successfully synthesized. This paper provides a review of these developments and future research directions.