Machine-Assisted Quantum Magnetism
Some of the most exciting and exotic physics occurs in the field of quantum magnetism, where strong electron correlations and entanglement lead to topological magnets and emergent magnetic excitations. This can lead to new states of matter, such as the long-sought-after, but highly elusive so-called spin liquid. One key issue limiting progress in this field is both the lack of experimental capabilities to study low-energy excitations in materials at equilibrium, as well as comprehensive theoretical modeling. By taking advantage of innovative capabilities at the DOE’s Linac Coherent Light Source II to provide novel experimental data of these low-energy modes of the system that are not accessible anywhere else with x-rays, together with an extensive theoretical framework including three of the most powerful, modern computational approaches (exact diagonalization, advanced density functional theory, and the density matrix renormalization group), we have an opportunity to make fundamental advancements in the understanding of materials. The coupling of the scientific domain of quantum materials (experiment with theory and computation) with rapid advances in high-performance computing and multimodal experimental workflows is a key advancement that gives this project an unmatched potential to make important breakthroughs in real-time, machine-assisted quantum magnetism. Not only will the hand-picked team of multi-institute experts lay the groundwork for this unique opportunity, but we have targeted three specific areas where data science will not only accelerate scientific discovery but enable solutions for fundamental basic energy sciences challenges that would otherwise not be possible.