Discovery Early Career Researcher Award - Grant ID: DE220101147

量子技术中原子缺陷的第一性原理设计。该项目旨在解决基于固体中的原子缺陷设计和设计更好的单光子源的问题，原子缺陷是许多量子技术的关键组成部分。利用先进的第一原理量子力学理论和计算，该项目预计将产生关键机制和性质的基础知识，并利用这些知识为设计新的原子缺陷提供信息，作为量子发射器的定制应用。预期的结果，包括新的方法，将有助于不同的研究领域，从凝聚态物质和材料物理到量子科学和技术。该项目应该会在加速澳大利亚的量子技术创新方面带来显著的好处。

First-principles design of atomic defects for quantum technologies. This project aims to address the issue of designing and engineering better single-photon sources based on atomic defects in solids, a crucial building block for many quantum technologies. Using advanced first-principles quantum mechanical theories and calculations, the project expects to produce fundamental knowledge of key mechanisms and properties, and to use this to inform the design of new atomic defects for tailored applications as quantum emitters. The expected outcomes, including novel methodologies, will contribute to different research areas, from condensed matter and materials physics to quantum science and technology. This project should provide significant benefits in accelerating quantum technology innovation in Australia.