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We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian…
A method for efficient scheduling of hybrid classical-quantum workflows is presented, based on standard tools available on common supercomputer systems. Moderate interventions by the user are required, such as splitting a monolithic…
Quantum computers are the next evolution of computing hardware. Quantum devices are being exposed through the same familiar cloud platforms used for classical computers, and enabling seamless execution of hybrid applications that combine…
Quantum computers have great potential to solve problems which are intractable on classical computers. However, quantum processors have not yet reached the required scale to run applications which outperform traditional computers. Leading…
This work proposes a hybrid framework combining classical computers with quantum annealers for structural optimisation. At each optimisation iteration of an iterative process, two minimisation problems are formulated one for the underlying…
Achieving reliable performance on early fault-tolerant quantum hardware will depend on protocols that manage noise without incurring prohibitive overhead. We propose a novel framework that integrates quantum computation with the…
Challenges at the quantum-classical interface are examined with the goal of architecting a scaled-up quantum computer comprising many thousands of qubits in the solid-state. Separating the distinct sub-systems of the interface that perform…
Faster algorithms, novel cryptographic mechanisms, and alternative methods of communication become possible when the model underlying information and computation changes from a classical mechanical model to a quantum mechanical one. Quantum…
Quantum information science explores the frontier of highly complex quantum states, the "entanglement frontier." This study is motivated by the observation (widely believed but unproven) that classical systems cannot simulate highly…
Artificial intelligence and machine learning have been widely adopted both in the industry and in everyday life, but at the cost of high compute demands. Recent studies show that implementing machine learning in physical systems in the deep…
A massively parallel order-N electronic structure theory was constructed by an interdisciplinary research between physics, applied mathematics and computer science. (1) A high parallel efficiency with ten-million-atom nanomaterials was…
Today, people are looking forward to get an awesome computational power. This kind of desire can be answered by quantum computing. By adopting quantum mechanics theory, it can generate a very fast computation result. As known, quantum…
Programming for today's quantum computers is making significant strides toward modern workflows compatible with high performance computing (HPC), but fundamental challenges still remain in the integration of these vastly different…
A quantum processing unit (QPU) must contain a large number of high quality qubits to produce accurate results for problems at useful scales. In contrast, most scientific and industry classical computation workloads happen in parallel on…
Quantum algorithms are a very promising field. However, creating and manipulating these kind of algorithms is a very complex task, specially for software engineers used to work at higher abstraction levels. The work presented here is part…
We run a selection of algorithms on two state-of-the-art 5-qubit quantum computers that are based on different technology platforms. One is a publicly accessible superconducting transmon device with limited connectivity, and the other is a…
Quantum computing is an emerging computational paradigm that leverages the laws of quantum mechanics to perform elementary logic operations. Existing programming models for quantum computing were designed with fault-tolerant hardware in…
Proposed quantum advantage in electronic structure has so far required significant fine-tuning to find problems where classical heuristics fail. We describe how to obtain robust quantum speedups for correlated electronic structure and…
Quantum simulations consist in the intentional reproduction of physical or unphysical models into another more controllable quantum system. Beyond establishing communication vessels between unconnected fields, they promise to solve complex…
A theoretical model of a quantum device which can factorize any number N in two steps i.e. by preparing an input state and performing a measurement is discussed. The analysis reveals that the duration of state preparation and measurement is…