The impact of noise on the simulation of NMR spectroscopy on NISQ devices

Abstract: We present the simulation of nuclear magnetic resonance (NMR) spectroscopy of small organic molecules with two promising quantum computing platforms, namely IBM's quantum processors based on superconducting qubits and IonQ's Aria trapped ion quantum computer addressed via Amazon Braket. We analyze the impact of noise on the obtained NMR spectra, and we formulate an effective decoherence rate that quantifies the threshold noise that our proposed algorithm can tolerate. Furthermore we showcase how our noise analysis allows us to improve the spectra. Our investigations pave the way to better employ such application-driven quantum tasks on current noisy quantum devices.