Improving Hamiltonian encodings with the Gray code

Abstract

Due to the limitations of present-day quantum hardware, it is especially critical to design algorithms that make the best possible use of available resources. When simulating quantum many-body systems on a quantum computer, many of the encodings that transform Fermionic Hamiltonians into qubit Hamiltonians use $N$ of the available basis states of an $N$-qubit system, whereas $2^N$ are in theory available. We explore an efficient encoding that uses the entire set of basis states, where creation and annihilation operators are mapped to qubit operators with a Hamiltonian that acts on the basis states in Gray code order. This encoding is applied to the commonly-studied problem of finding the ground state energy of a deuteron with a simulated variational quantum eigensolver (VQE), and various trade-offs that arise are analyzed. The energy distribution of VQE solutions has smaller variance than the one obtained by the Jordan-Wigner encoding even in the presence of simulated hardware noise, despite an increase in the number of measurements. The reduced number of qubits and a shorter-depth variational ansatz also enables the encoding of larger problems on current-generation machines. This encoding also shows promise for simulating the time evolution of the same system, producing circuits for the evolution operators with roughly half as many single- and two-qubit gates than a Jordan-Wigner encoding.