CAREER: Correlated Superconductors under Extreme Conditions

非技术性总结该职业奖支持对超导体建模的计算和理论研究和教育，其中电子相互作用强烈或受到强光照射和高压等极端条件的影响。超导性是一种量子现象，它允许电流在某个临界温度以下以零电阻流动。超导体有几个现有的应用，如磁共振成像设备，量子计算机和磁悬浮列车。然而，超导技术的大规模利用目前受到限制，因为大多数现有材料在正常条件下在非常低的温度下变得超导。最近的实验表明，在暴露于强激光或超高压的极端条件下，超导体的临界温度可以提高。然而，这些实验观察的潜在机制在很大程度上仍然难以捉摸。在这个项目中，PI将采用和开发先进的计算技术，以应对与理解极端条件下超导机制相关的挑战。主要研究目标是提供基本的理论理解，以指导实验表征和发现暴露于强光或高压时成为超导体的新材料。该研究将有助于加快在更高温度下成为超导体的新材料的建模和发现，从而为能源，交通和信息技术行业的革命提供机会。该奖项还支持各种教育和推广活动。PI将（i）在计算物理，数据科学和材料科学研究方面培训本科生和研究生，（ii）通过将研究与教学相结合提供相应的跨学科课程，以及（iii）扩大传统上在科学，技术，工程，和数学（STEM）学科，并为伯明翰高中和社区大学的学生组织科学夏令营，技术总结该职业奖支持极端条件下相关超导体的理论和计算研究的研究和教育。要探索的材料包括非传统的超导体，如铜酸盐和硒化铁，以及传统的超导体，但在电子结构中有大量的相关物理表现。PI将研究相图和相关哈密顿的光致超导性，如扩展的哈伯德和哈伯德-荷尔斯泰因模型。目标是表明，亚稳态超导相在平衡可以占主导地位，在非平衡，奇异的配对对称性可以选择性地增强定制的激光泵浦。PI还将模拟使用应变和压力作为调节旋钮来控制拓扑超导体。此外，PI还将研究稀土超导体中的相关效应是否有助于在减压下实现高临界温度的超导体。为了应对研究上述系统的挑战，PI将采用和开发先进的数值技术，包括大规模精确对角化，第一性原理进化结构预测，以及新的数据科学方法，如递归计算，时间序列回归和图形神经网络。该研究活动将促进对非平衡和应变环境下相关超导体的理解和控制，并有助于加快高临界温度新超导体的建模和发现。该奖项还支持各种教育和推广活动。PI将（i）在计算物理，数据科学和材料科学研究方面培训本科生和研究生，（ii）通过将研究与教学相结合提供相应的跨学科课程，以及（iii）扩大代表性不足的STEM团体的参与，并为伯明翰高中和社区大学学生组织科学夏令营。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

NONTECHNICAL SUMMARYThis CAREER award supports computational and theoretical research and education on modeling superconductors in which electrons interact with each other strongly or are subjected to extreme conditions such as intense light illumination and high pressure. Superconductivity is a quantum phenomenon that allows electricity to flow with zero resistance below some critical temperature. Superconductors have several existing applications such as magnetic resonance imaging devices, quantum computers, and magnetic levitation trains. However, broad-scale utilization of superconducting technology is currently limited, because most existing materials become superconducting at very low temperatures under normal conditions. Recent experiments have shown that critical temperatures of superconductors can be boosted under extreme conditions of exposure to intense lasers or ultrahigh pressures. However, the underlying mechanisms for these experimental observations have largely remained elusive. In this project, the PI will employ and develop advanced computational techniques to tackle the challenges associated with understanding the mechanisms of superconductivity under extreme conditions. The main research goal is to provide a fundamental theoretical understanding to guide experiments in characterizing and discovering new materials that become superconducting when exposed to intense light or high-pressures. The research will help expedite the modeling and discovery of new materials that become superconducting at higher temperatures, thus offering opportunities to revolutionize the industries of energy, transportation, and information technology.This award also supports various education and outreach activities. The PI will (i) train both undergraduate and graduate students in computational physics, data science, and materials science research, (ii) deliver corresponding interdisciplinary courses by integrating research with teaching, and (iii) broaden the participation of groups traditionally underrepresented in Science, Technology, Engineering, and Mathematics (STEM) disciplines and organize science summer camps for Birmingham high-school and community college students, in order to engage them at early stages towards STEM careers.TECHNICAL SUMMARYThis CAREER award supports research and education in theoretical and computational studies of correlated superconductors under extreme conditions. The materials to explore include unconventional superconductors like the cuprates and iron selenides, and conventional superconductors yet with substantial correlation physics manifest in the electronic structures. The PI will investigate phase diagrams and light-induced superconductivity of correlated Hamiltonians, such as the extended Hubbard and Hubbard-Holstein models. The objectives are to show that metastable superconducting phase at equilibrium can dominate at nonequilibrium, and that exotic pairing symmetry can be selectively enhanced by a tailored laser pump. The PI will also model the use of strain and pressure as tuning knobs to control topological superconductors. Furthermore, the PI will investigate whether correlation effects in rare-earth hydrides can potentially help achieve superconductors with high critical temperatures at reduced pressures. To tackle the challenges in studying the above systems, the PI will employ and develop advanced numerical techniques including large-scale exact diagonalization, first-principles evolutionary structure prediction, and novel data science approaches, such as dataflow computing, time series regression, and graph neural networks. The research activities will advance the understanding and control of correlated superconductors under nonequilibrium and strained environments, and help expedite the modeling and discovery of new superconductors with high critical temperatures.This award also supports various education and outreach activities. The PI will (i) train both undergraduate and graduate students in computational physics, data science, and materials science research, (ii) deliver corresponding interdisciplinary courses by integrating research with teaching, and (iii) broaden the participation of underrepresented STEM groups and organize science summer camps for Birmingham high-school and community college students, in order to engage them at early stages towards STEM careers.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.