NMR Implementation of a Molecular Hydrogen Quantum Simulation with Adiabatic State Preparation

It is difficult to simulate quantum systems on classical computers, while quantum computers have been proved to be able to efficiently perform such kinds of simulations. We report an NMR implementation simulating the hydrogen molecule (H₂) in a minimal basis to obtain its ground-state energy. Using an iterative NMR interferometer to measure the phase shift, we achieve a 45-bit estimation of the energy value. The efficiency of the adiabatic state preparation is also experimentally tested with various configurations of the same molecule.