Exploring Quantum Annealing Architectures: A Spin Glass Perspective

We study the spin-glass transition in several Ising models of relevance for quantum annealers. We extract the spin-glass critical temperature by extrapolating the pseudo-critical properties obtained with Replica-Exchange Monte-Carlo for finite-size systems. We find a spin-glass phase for some random lattices (random-regular and small-world graphs) in good agreement with previous results. However, our results for the quasi-two-dimensional graphs implemented in the D-Wave annealers (Chimera, Zephyr, and Pegasus) indicate only a zero-temperature spin-glass state, as their pseudo-critical temperature drifts towards smaller values. This implies that the asymptotic runtime to find the low-energy configuration of those graphs is likely to be polynomial in system size, nevertheless, this scaling may only be reached for very large system sizes -- much larger than existing annealers -- as we observe an abrupt increase in the computational cost of the simulations around the pseudo-critical temperatures. Thus, two-dimensional systems with local crossings can display enough complexity to make unfeasible the search with classical methods of low-energy configurations.Comment: 13 page

Computational Complexity in Electronic Structure

In quantum chemistry, the price paid by all known efficient model chemistries is either the truncation of the Hilbert space or uncontrolled approximations. Theoretical computer science suggests that these restrictions are not mere shortcomings of the algorithm designers and programmers but could stem from the inherent difficulty of simulating quantum systems. Extensions of computer science and information processing exploiting quantum mechanics has led to new ways of understanding the ultimate limitations of computational power. Interestingly, this perspective helps us understand widely used model chemistries in a new light. In this article, the fundamentals of computational complexity will be reviewed and motivated from the vantage point of chemistry. Then recent results from the computational complexity literature regarding common model chemistries including Hartree-Fock and density functional theory are discussed.Comment: 14 pages, 2 figures, 1 table. Comments welcom

Complexity, parallel computation and statistical physics

The intuition that a long history is required for the emergence of complexity in natural systems is formalized using the notion of depth. The depth of a system is defined in terms of the number of parallel computational steps needed to simulate it. Depth provides an objective, irreducible measure of history applicable to systems of the kind studied in statistical physics. It is argued that physical complexity cannot occur in the absence of substantial depth and that depth is a useful proxy for physical complexity. The ideas are illustrated for a variety of systems in statistical physics.Comment: 21 pages, 7 figure

The computational complexity of density functional theory

Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search for improved functionals has resulted in hundreds of functionals and remains an active research area. This chapter is concerned with understanding fundamental limitations of any algorithmic approach to approximating the universal functional. The results based on Hamiltonian complexity presented here are largely based on \cite{Schuch09}. In this chapter, we explain the computational complexity of DFT and any other approach to solving electronic structure Hamiltonians. The proof relies on perturbative gadgets widely used in Hamiltonian complexity and we provide an introduction to these techniques using the Schrieffer-Wolff method. Since the difficulty of this problem has been well appreciated before this formalization, practitioners have turned to a host approximate Hamiltonians. By extending the results of \cite{Schuch09}, we show in DFT, although the introduction of an approximate potential leads to a non-interacting Hamiltonian, it remains, in the worst case, an NP-complete problem.Comment: Contributed chapter to "Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View

NMR Quantum Computation

In this article I will describe how NMR techniques may be used to build simple quantum information processing devices, such as small quantum computers, and show how these techniques are related to more conventional NMR experiments.Comment: Pedagogical mini review of NMR QC aimed at NMR folk. Commissioned by Progress in NMR Spectroscopy (in press). 30 pages RevTex including 15 figures (4 low quality postscript images