Presents an end-to-end constraint-aware quantum optimization pipeline using XY-mixer QAOA and Grover Adaptive Search for low-energy defect configurations in doped ZrO2, with QAOA validated against exact enumeration on a high-accuracy QUBO surrogate of MACE energies.
Generalizedclusterdescriptionofmulticomponent systems.Physica A: Statistical Mechanics and its Applications, 128(1):334–350, 1984
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Constraint-Aware Quantum Optimization of Defect Configurations in Doped ZrO2: XY-Mixer QAOA and Grover Adaptive Search
Presents an end-to-end constraint-aware quantum optimization pipeline using XY-mixer QAOA and Grover Adaptive Search for low-energy defect configurations in doped ZrO2, with QAOA validated against exact enumeration on a high-accuracy QUBO surrogate of MACE energies.