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Superconducting quantum hardware architectures have been designed by considering the physical constraints of the underlying physics. These general-purpose architectures leave room for customization and optimization that can be exploited…
Quantum computing is increasingly practiced through programming, yet most educational offerings emphasize algorithmic or framework-level use rather than software engineering concerns such as testing, abstraction, tooling, and lifecycle…
It is known that quantum computers, if available, would allow an exponential decrease in the computational cost of quantum simulations. We extend this result to show that the computation of molecular properties (energy derivatives) could…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
Quantum computing leverages the quantum resources of superposition and entanglement to efficiently solve computational problems considered intractable for classical computers. Examples include calculating molecular and nuclear structure,…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
Abstraction layers are of paramount importance in software architecture, as they shield the higher-level formulation of payload computations from lower-level details. Since quantum computing (QC) introduces many such details that are often…
Computing the electronic structure of molecules with high precision is a central challenge in the field of quantum chemistry. Despite the enormous success of approximate methods, tackling this problem exactly with conventional computers is…
Many organizations that vitally depend on computation for their competitive advantage are keen to exploit the expected performance of quantum computers (QCs) as soon as quantum advantage is achieved. The best approach to deliver hardware…
Design space exploration (DSE) plays an important role in optimising quantum circuit execution by systematically evaluating different configurations of compilation strategies and hardware settings. In this work, we study the impact of…
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of closed-system, unitary dynamics and ground-state…
Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and…
Manipulating quantum computing hardware in the presence of imperfect devices and control systems is a central challenge in realizing useful quantum computers. Susceptibility to noise limits the performance and capabilities of noisy…
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational capabilities in many areas of chemical research by bringing…
The anticipated applications of quantum computers span across science and industry, ranging from quantum chemistry and many-body physics to optimization, finance, and machine learning. Proposed quantum solutions in these areas typically…
One significant advantage of superconducting processors is their extensive design flexibility, which encompasses various types of qubits and interactions. Given the large number of tunable parameters of a processor, the ability to perform…
Quantum error correction allows for faulty quantum systems to behave in an effectively error free manner. One important class of techniques for quantum error correction is the class of quantum subsystem codes, which are relevant both to…
Quantum computing promises revolutionary advances in modeling materials and molecules. However, the up-to-date runtime estimates for utility-scale applications on certain quantum hardware systems are in the order of years rendering quantum…