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This hybrid quantum-classical framework significantly reduces noise in molecular simulations by enforcing N-representability constraints through efficient semidefinite programming. By purifying noisy data from imperfect hardware, the method achieves near full configuration-interaction accuracy for ground-state energies and scattering intensities, offering a practical pathway toward quantum advantage in complex chemical modeling.
Norm-Based Calibration Cuts Quantum Noise for Molecular Simulations

Researchers improved molecular simulations on quantum devices by purifying noisy data, enforcing N-representability via efficient programming guided.
Researchers have achieved “near full configuration-interaction accuracy” in molecular simulations using a novel quantum-classical framework, a level of precision previously difficult to obtain with existing methods. The team, led by Qi-Ming Ding of Peking University and Yingjin Ma of the Chinese Academy of Sciences, developed a technique to…
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