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An end-to-end, large-scale digital NMR simulation of a classically challenging benchmark molecule, 1,2-di-tert-butyl-diphosphane, and implements a hardware-efficient reduction of the nuclear-spin Hamiltonian, enabling Trotterized real-time evolution of an effective 21-spin model with tailored error suppression to reduce the effects of device noise.
Achieving chemical accuracy in quantum chemistry simulations hinges on the delicate balance between reference state fidelity and operator expressivity.