A DMET-VQE co-optimization framework reduces qubit requirements and enables equilibrium geometry optimization for molecules up to the size of glycolic acid C2H4O3.
Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers
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Large-scale Efficient Molecule Geometry Optimization with Hybrid Quantum-Classical Computing
A DMET-VQE co-optimization framework reduces qubit requirements and enables equilibrium geometry optimization for molecules up to the size of glycolic acid C2H4O3.