Quantum Computation of Molecular Structure Using Data from Challenging-To-Classically-Simulate Nuclear Magnetic Resonance Experiments
We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magnetic resonance (NMR).We focus on learning the anisotropic dipolar term of the Hamiltonian, which generates dynamics that are challenging to classically simulate in some c