发现相变温度Tc更接近室温的超导材料是超导研究的主要目标之一。从材料基因计划的角度出发，理论预测先行被认为是缩短新材料制备周期的关键。然而非常规高温超导体的机理尚不完全明确，无法从理论上对其Tc进行定量预测。最近理论计算和实验共同确认在约200GPa高压下，常规电声耦合超导体LaH10的Tc可达260K，这说明电声耦合机理可以给出近室温的超导。能否发现近常压，甚至常压下的电声耦合高温超导体是超导领域当前关切的重要问题。在给定化学组分及压强下，以能量（或焓）为单目标优化函数的晶体结构智能预测取得了长足进步，但尚未有将超导Tc作为目标优化函数的研究。本项目拟以超导Tc和能量（或焓）为多目标优化函数，开展近常压下电声耦合高温超导体的智能预测研究，力图从理论上发现若干近常压下的高温超导体，供实验物理学家参考合成。申请人长期从事电声耦合超导的第一性原理研究，为本项目的实施奠定了坚实的基础。

Searching for superconductor with transition-temperature (Tc) close to room temperature is a major goal in the research of superconductivity. From the viewpoint of materials genome project, theoretical prediction is regarded as a key to shorten the preparation period of new functional materials. But the pairing mechanism of unconventional superconductors is not clear, thus the superconducting Tc can not be quantitatively predicted from theoretical simulation. Recently, both theoretical calculation and experimental measurement confirmed that the Tc of conventional phonon-mediated superconductor LaH10 can reach 260 K under about 200 GPa. This indicates that the electron-phonon coupling mechanism can give rise to near-room-temperature superconductivity. Currently, whether the phonon-mediated high-Tc superconductor near or at ambient pressure can be found is a hot topic in the field of superconductivity. Under given chemical composition and external pressure, intelligent crystal structure prediction with total energy (or enthalpy) being the single objective optimization function has made considerable progress, but there is no research using superconducting Tc as the optimization function. In this project, we intend to search high-Tc phonon-mediated superconductors near ambient pressure in the framework of intelligent crystal structure prediction, by taking superconducting Tc and energy (or enthalpy) as multi-objective optimization functions. We will try our best to find some potential high-Tc superconductors, which will be offered to experimental physicists for synthesis. The applicant has accumulated rich experiences in calculating phonon-mediated superconductors. This lays a solid foundation for the implementation of this project.