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

Abstract

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.

Implementation of State Transfer Hamiltonians in Spin Chains with Magnetic Resonance Techniques

“…The quantum Fourier transform was as well demonstrated in liquidstate NMR [46] as well as Shor's factorization algorithm [47]. Besides these algorithms, NMR was also used to study quantum simulations [48][49][50], quantum random walks [51], quantum games [52,53] and quantum chaos [54]. Most of these results have been made possible by the creation of pseudo-pure states (see next section), which play as well a role in the demonstration of quantum state transport.…”

Quantum Information and Computation for Chemistry

“…In this case, the wavefunction of molecular hydrogen (H 2 ) in a minimal basis set was encoded in a 1 qubit state and the IPEA was realized using a two-qubit photonic chip (Lanyon et al, 2010). A similar procedure was applied to H 2 using nuclear magnetic resonance (Du et al, 2010) and to helium hydride (HeH + ) using nitrogen vacancies in diamond (Wang et al, 2015). More recently, experimental efforts have been focused on the quantum variational eigensolver (VQE) algorithm (see next section), the first demonstration of which was performed in 2014 (Peruzzo et al, 2014).…”

Toward scalable information processing with ultracold polar molecules in an electric field: A numerical investigation

“…The past few years have witnessed remarkable experimental achievements in the realization of elementary quantum logical operations on physical systems [1][2][3][4][5]. Building a quantum processor that could handle a large number of quantum bits (qubits) represents the next milestone to reach toward the realization of a practical quantum computer, but no technology is currently available for processing about 100 qubits, which is the expected minimum number of qubits required to outperform powerful current classical computers.…”