A 2022 theoretical breakthrough has finally made it possible to model the complex electron behaviour inside real materials, not just simplified toy versions. The problem is that many promising quantum materials—which could enable room-temperature superconductors or next-generation quantum computers—only work at impractically cold temperatures. Researchers have lacked the theoretical tools to understand why, or how to fix it. The functional renormalisation group theory (FRG) that describes these strong electron-electron interactions was so computationally demanding that it could only handle artificial, simplified systems. This fellowship will apply the new, computationally tractable FRG to a wide range of real materials, using actual material parameters as inputs. By systematically analysing these systems, the researcher aims to identify the specific chemical and structural changes needed to raise transition temperatures and enhance quantum properties. The project will also create an open-access database of correlated quantum material models and simulations, standardising how these calculations are done across the field. If successful, this work could lead to the rational design of materials with record-breaking properties—superconductors that operate at higher temperatures, or materials for energy-efficient spintronic devices. It is fundamental science, but one with a clear engineering goal: turning the discovery of useful quantum materials from a matter of luck into a matter of design.
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With the growing success of AI in modern society, exponential energy consumption and the limitations of classical computing are becoming serious challenges. To keep up with this growing global demand requires revolutionary new approaches beyond conventional Silicon-based technologies. One of the most promising routes here is to utilise correlated quantum materials. These materials exhibit strong electron-electron interactions that give rise to remarkable low-energy phenomena, such as high-temperature superconductivity and unconventional magnetism, which offer immense potential not only for energy-efficient technology, but also for advancements in frictionless transportation, industrial magnets, spintronic devices, and next-generation quantum computers. However, as it stands, most correlated quantum materials only exhibit these technologically relevant properties at extremely low temperatures, or in equally impractical conditions, and we usually lack insight into how to optimize these properties for specific applications. While dramatically improving the practical application of correlated quantum materials is in principle possible, our lack of theoretical understanding of the complex interactions has held back progress in real-life material development. Theoretical methods to describe the fundamental interactions and predict the properties of correlated materials have been developed, using a technique known as functional renormalisation group theory (FRG), yet for decades they have been so computationally demanding that they have only been applicable to the simplest of toy systems, limiting their utility for understanding real materials. A recent breakthrough in FRG theory in 2022 however has broken through this computational complexity barrier, unlocking the modelling of systems with realistic and complex electronic structures. This has enabled a route to combine our advanced fundamental understanding of the underpinning theories with material specificity to allow for a direct comparison with experimental data and to understand how electron correlations influences materials that host multiple atomic, orbital and spin degrees of freedom. The aim of this fellowship is to harness this new material specificity within FRG and apply it to a wide range of known correlated material systems using realistic materials parameters as input. From this large-scale analysis, I will be able to theoretically identify, and experimentally verify, the key chemical and structural handles required to enhance and control quantum interactions in real materials, leading to the development of new correlated electron materials with enhanced properties, such as superconductors with higher transition temperatures. The objectives of this project will be achieved through a uniquely transformative, high-throughput approach to correlated quantum material research, identifying routes to maximise the correlated ground state transition temperatures of quantum materials. Through the process, I will develop an open-access database consisting of open-source correlated quantum material models and simulations, leading to a standardisation of correlated quantum materials computations and enabling myself, and other scientists, to design next-generation correlated quantum materials with record-breaking properties. This research will act as a bridge connecting theoretical predictions to practical application and pave the way for a new era of designer correlated quantum technologies.
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