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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.
A hybrid quantum-classical approach reveals that a coupling cutoff can dramatically simplify Hamiltonian representation while preserving essential dynamics in reaction-center chemistry.
