Bravyi-Kitaev Superfast simulation of fermions on a quantum computer

Present quantum computers often work with distinguishable qubits as their computational units. In order to simulate indistinguishable fermionic particles, it is first required to map the fermionic state to the state of the qubits. The Bravyi-Kitaev Superfast (BKSF) algorithm can be used to accomplish this mapping. The BKSF mapping has connections to quantum error correction and opens the door to new ways of understanding fermionic simulation in a topological context. Here, we present the first detailed exposition of BKSF algorithm for molecular simulation. We provide the BKSF transformed qubit operators and report on our implementation of the BKSF fermion-to-qubits transform in OpenFermion. In this initial study of the hydrogen molecule, we have compared BKSF, Jordan-Wigner and Bravyi-Kitaev transforms under the Trotter approximation. We considered different orderings of the exponentiated terms and found lower Trotter errors than previously reported for Jordan-Wigner and Bravyi-Kitaev algorithms. These results open the door to further study of the BKSF algorithm for quantum simulation.Comment: 13 pages, 5 figure

On the NP-completeness of the Hartree-Fock method for translationally invariant systems

The self-consistent field method utilized for solving the Hartree-Fock (HF) problem and the closely related Kohn-Sham problem, is typically thought of as one of the cheapest methods available to quantum chemists. This intuition has been developed from the numerous applications of the self-consistent field method to a large variety of molecular systems. However, as characterized by its worst-case behavior, the HF problem is NP-complete. In this work, we map out boundaries of the NP-completeness by investigating restricted instances of HF. We have constructed two new NP-complete variants of the problem. The first is a set of Hamiltonians whose translationally invariant Hartree-Fock solutions are trivial, but whose broken symmetry solutions are NP-complete. Second, we demonstrate how to embed instances of spin glasses into translationally invariant Hartree-Fock instances and provide a numerical example. These findings are the first steps towards understanding in which cases the self-consistent field method is computationally feasible and when it is not.Comment: 6 page

The design of the man/machine interface for a transistor tester

This project is a practical exercise in system design undertaken by the previously named group of Electrical and Control Engineering students. The object of the project is the practical embodiment of ergonomic and systems design concepts incorporated within a lecture series in the subject. The whole project took place over the Spring Term and part of the Summer Term of the 1964/65 Academic Year. The material in this report was arrived at by considerable discussion amongst the whole group, although for convenience in the following text, the sections were each compiled by an individual member. This method of compilation has led to a small amount of overlapping between sections. The project itself is concerned with the design of the interface between a machine for carrying out tests on transistors and the operator of such a machine. In essence it amounts to the design of the controls and display panel. The commercial version of this instrument, made by the American firm Tektronix, was not examined until late in the project and consequently much of the design arrived at by the C.O.L. (College of Aeronautics) group is original. The C.O.A. group wish to acknowledge the help and guidance given by Mr. D. Whitfield of the Ergonomics Laboratory, C.O.A., during this project

Ground State Spin Logic

Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground state subspace encoding the truth tables of Boolean formulas. The ground state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground state embeddings found in both classical optimization as well as adiabatic quantum optimization.Comment: 6 pages + 3 pages appendix, 7 figures, 1 tabl

Local spin operators for fermion simulations

Digital quantum simulation of fermionic systems is important in the context of chemistry and physics. Simulating fermionic models on general purpose quantum computers requires imposing a fermionic algebra on spins. The previously studied Jordan-Wigner and Bravyi-Kitaev transformations are two techniques for accomplishing this task. Here we re-examine an auxiliary fermion construction which maps fermionic operators to local operators on spins. The local simulation is performed by relaxing the requirement that the number of spins should match the number of fermionic modes. Instead, auxiliary modes are introduced to enable non-consecutive fermionic couplings to be simulated with constant low-rank tensor products on spins. We connect the auxiliary fermion construction to other topological models and give examples of the construction

Superfast encodings for fermionic quantum simulation

Simulation of fermionic many-body systems on a quantum computer requires a suitable encoding of fermionic degrees of freedom into qubits. Here we revisit the Superfast Encoding introduced by Kitaev and one of the authors. This encoding maps a target fermionic Hamiltonian with two-body interactions on a graph of degree $d$ to a qubit simulator Hamiltonian composed of Pauli operators of weight $O(d)$. A system of $m$ fermi modes gets mapped to $n=O(md)$ qubits. We propose Generalized Superfast Encodings (GSE) which require the same number of qubits as the original one but have more favorable properties. First, we describe a GSE such that the corresponding quantum code corrects any single-qubit error provided that the interaction graph has degree $d\ge 6$. In contrast, we prove that the original Superfast Encoding lacks the error correction property for $d\le 6$. Secondly, we describe a GSE that reduces the Pauli weight of the simulator Hamiltonian from $O(d)$ to $O(\log{d})$. The robustness against errors and a simplified structure of the simulator Hamiltonian offered by GSEs can make simulation of fermionic systems within the reach of near-term quantum devices. As an example, we apply the new encoding to the fermionic Hubbard model on a 2D lattice.Comment: 9 pages, 4 figure

A demonstration of the utility of fractional experimental design for finding optimal genetic algorithm parameter settings

This paper demonstrates that the use of sparse experimental design in the development of the structure for genetic algorithms, and hence other computer programs, is a particularly effective and efficient strategy. Despite widespread knowledge of the existence of these systematic experimental plans, they have seen limited application in the investigation of advanced computer programs. This paper attempts to address this missed opportunity and encourage others to take advantage of the power of these plans. Using data generated from a full factorial experimental design, involving 27 experimental runs that was used to assess the optimum operating settings of the parameters of a special genetic algorithm (GA), we show that similar results could have been obtained using as few as nine runs. The GA was used to find minimum cost schedules for a complex component assembly operation with many sub-processes