Programmable Exploration of Magnetic States in Lieb-Kagome Interpolated Lattices

Abstract: We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable systems. Using phthalocyanine assemblies as a structurally constrained prototype, we model a continuous deformation from a Lieb to a kagome lattice, revealing frustration-driven disorder and magnetic field-induced reordering in the spin structure. The annealer provides access to observables such as the static structure factor and magnetization over a wide parameter space, enabling the characterization of magnetic arrangements beyond the reach of current molecular architectures. This surrogate modeling approach supports a feedback loop between experiment and programmable quantum hardware, offering a pathway to explore and iteratively design tunable magnetic states in synthetic quantum materials. The synthetic design, structural characterization, and quantum simulation framework established here defines a modular and scalable paradigm for probing the limits of engineered quantum matter across chemistry, condensed matter, and quantum information science.