Applications of additive sequence of permutations

AbstractLet X1 be the m-vector (−r,−r+1,…,−1,0,1,…,r−1,r), m=2r+1, and X2,…,Xn be permutations of X1. Then X1,X2,…,Xn is said to be an additive sequence of permutations (ASP) of order m and length n if the vector sum of every subsequence of consecutive permutations is again a permutation of X1. ASPs had been extensively studied and used to construct perfect difference families. In this paper, ASPs are used to construct perfect difference families and properly centered permutation matrices (which are related to radar arrays). More existence results on perfect difference families and properly centered permutation matrices are obtained

Partial geometric designs and difference families

We examine the designs produced by different types of difference families. Difference families have long been known to produce designs with well behaved automorphism groups. These designs provide the elegant solutions desired for applications. In this work, we explore the following question: Does every (named) design have a difference family analogue? We answer this question in the affirmative for partial geometric designs

Basic concepts in quantum computation

Section headings: 1 Qubits, gates and networks 2 Quantum arithmetic and function evaluations 3 Algorithms and their complexity 4 From interferometers to computers 5 The first quantum algorithms 6 Quantum search 7 Optimal phase estimation 8 Periodicity and quantum factoring 9 Cryptography 10 Conditional quantum dynamics 11 Decoherence and recoherence 12 Concluding remarksComment: 37 pages, lectures given at les Houches Summer School on "Coherent Matter Waves", July-August 199

Assessing, testing, and challenging the computational power of quantum devices

Randomness is an intrinsic feature of quantum theory. The outcome of any measurement will be random, sampled from a probability distribution that is defined by the measured quantum state. The task of sampling from a prescribed probability distribution therefore seems to be a natural technological application of quantum devices. And indeed, certain random sampling tasks have been proposed to experimentally demonstrate the speedup of quantum over classical computation, so-called “quantum computational supremacy”. In the research presented in this thesis, I investigate the complexity-theoretic and physical foundations of quantum sampling algorithms. Using the theory of computational complexity, I assess the computational power of natural quantum simulators and close loopholes in the complexity-theoretic argument for the classical intractability of quantum samplers (Part I). In particular, I prove anticoncentration for quantum circuit families that give rise to a 2-design and review methods for proving average-case hardness. I present quantum random sampling schemes that are tailored to large-scale quantum simulation hardware but at the same time rise up to the highest standard in terms of their complexity-theoretic underpinning. Using methods from property testing and quantum system identification, I shed light on the question, how and under which conditions quantum sampling devices can be tested or verified in regimes that are not simulable on classical computers (Part II). I present a no-go result that prevents efficient verification of quantum random sampling schemes as well as approaches using which this no-go result can be circumvented. In particular, I develop fully efficient verification protocols in what I call the measurement-device-dependent scenario in which single-qubit measurements are assumed to function with high accuracy. Finally, I try to understand the physical mechanisms governing the computational boundary between classical and quantum computing devices by challenging their computational power using tools from computational physics and the theory of computational complexity (Part III). I develop efficiently computable measures of the infamous Monte Carlo sign problem and assess those measures both in terms of their practicability as a tool for alleviating or easing the sign problem and the computational complexity of this task. An overarching theme of the thesis is the quantum sign problem which arises due to destructive interference between paths – an intrinsically quantum effect. The (non-)existence of a sign problem takes on the role as a criterion which delineates the boundary between classical and quantum computing devices. I begin the thesis by identifying the quantum sign problem as a root of the computational intractability of quantum output probabilities. It turns out that the intricate structure of the probability distributions the sign problem gives rise to, prohibits their verification from few samples. In an ironic twist, I show that assessing the intrinsic sign problem of a quantum system is again an intractable problem

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing.Comment: Submitted as a roadmap article to Modelling and Simulation in Materials Science and Engineering; Address any correspondence to Vikram Gavini ([email protected]) and Danny Perez ([email protected]

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing