Resource-Optimized Fermionic Local-Hamiltonian Simulation on a Quantum Computer for Quantum Chemistry

The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing the power of quantum computers. Here, we address this problem in two aspects. In the fault-tolerant regime, we optimize the Rz and T gate counts along with the ancilla qubit counts required, assuming the use of a product-formula algorithm for implementation. We obtain a savings ratio of two in the gate counts and a savings ratio of eleven in the number of ancilla qubits required over the state of the art. In the pre-fault tolerant regime, we optimize the two-qubit gate counts, assuming the use of the variational quantum eigensolver (VQE) approach. Specific to the latter, we present a framework that enables bootstrapping the VQE progression towards the convergence of the ground-state energy of the fermionic system. This framework, based on perturbation theory, is capable of improving the energy estimate at each cycle of the VQE progression, by about a factor of three closer to the known ground-state energy compared to the standard VQE approach in the test-bed, classically-accessible system of the water molecule. The improved energy estimate in turn results in a commensurate level of savings of quantum resources, such as the number of qubits and quantum gates, required to be within a pre-specified tolerance from the known ground-state energy. We also explore a suite of generalized transformations of fermion to qubit operators and show that resource-requirement savings of up to more than 20%, in small instances, is possible.

Many-Body Fermions and Riemann Hypothesis

We study the algebraic structure of the eigenvalues of a Hamiltonian that corresponds to a many-body fermionic system. As the Hamiltonian is quadratic in fermion creation and/or annihilation operators, the system is exactly integrable and the complete single fermion excitation energy spectrum is constructed using the non-interacting fermions that are eigenstates of the quadratic matrix related to the system Hamiltonian. Connection to the Riemann Hypothesis is discussed.

Doped holographic fermionic system

We construct a two-current model. It includes two gauge fields, which introduce the doping effect, and a neutral scalar field. And then we numerically construct an AdS black brane geometry with scalar hair. Over this background, we study the fermionic system with the pseudoscalar Yukawa coupling. Some universal properties from the pseudoscalar Yukawa coupling are revealed. In particular, as the coupling increases, there is a transfer of the spectral weight from the low energy band to the high energy band. The transfer is over low energy scales but not over all energy scales. The peculiar properties are also explored. The study shows that with the increase of the doping, the gap opens more difficult. It indicates that there is a competition between the pseudoscalar Yukawa coupling and the doping.

Optimal fermion-to-qubit mapping via ternary trees with applications to reduced quantum states learning

We introduce a fermion-to-qubit mapping defined on ternary trees, where any single Majorana operator on an n-mode fermionic system is mapped to a multi-qubit Pauli operator acting nontrivially on ⌈log3⁡(2n+1)⌉ qubits. The mapping has a simple structure and is optimal in the sense that it is impossible to construct Pauli operators in any fermion-to-qubit mapping acting nontrivially on less than log3⁡(2n) qubits on average. We apply it to the problem of learning k-fermion reduced density matrix (RDM), a problem relevant in various quantum simulation applications. We show that one can determine individual elements of all k-fermion RDMs in parallel, to precision ϵ, by repeating a single quantum circuit for ≲(2n+1)kϵ−2 times. This result is based on a method we develop here that allows one to determine individual elements of all k-qubit RDMs in parallel, to precision ϵ, by repeating a single quantum circuit for ≲3kϵ−2 times, independent of the system size. This improves over existing schemes for determining qubit RDMs.

Mathematical Theory of Locally Coherent Quantum Many-Body Fermionic System

Recently Wang and Cheng proposed a self-consistent effective Hamiltonian theory (SCEHT) for many-body fermionic systems (Wang & Cheng, 2019). This paper attempts to provide a mathematical foundation to the formulation of the SCEHT that enables further study of excited states of the system in a more systematic and theoretical manner. Gauge fields are introduced and correct total energy functional in relations to the coupling gauge field is given. We also provides a Monte-Carlo numerical scheme for the search of the ground state that goes beyond the SCEHT.

A Rigorous Scattering Approach to Quasifree Fermionic Systems out of Equilibrium

Within the rigorous axiomatic framework for the description of quantum mechanical systems with a large number of degrees of freedom, we construct the so-called nonequilibrium steady state for the quasifree fermionic system corresponding to the isotropic XY chain in which a finite sample, subject to a local gauge breaking anisotropy perturbation, is coupled to two thermal reservoirs at different temperatures. Using time dependent and stationary scattering theory, we rigorously prove, from first principles, that the nonequilibrium system under consideration is thermodynamically nontrivial, i. e., that its entropy production rate is strictly positive.