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Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…
We describe QWalk, a new computational package capable of performing Quantum Monte Carlo electronic structure calculations for molecules and solids with many electrons. We describe the structure of the program and its implementation of…
We present Quantum Brush, an open-source digital painting tool that harnesses quantum computing to generate novel artistic expressions. The tool includes four different brushes that translate strokes into unique quantum algorithms, each…
Quantum computing has the potential to surpass the capabilities of current classical computers when solving complex problems. Combinatorial optimization has emerged as one of the key target areas for quantum computers as problems found in…
Generating a test suite for a quantum program such that it has the maximum number of failing tests is an optimization problem. For such optimization, search-based testing has shown promising results in the context of classical programs. To…
We are developing a quantum interactive learning tutorial (QuILT) on a quantum eraser for students in upperlevel quantum mechanics. The QuILT exposes students to contemporary topics in quantum mechanics and uses a guided approach to…
The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…
Quantum computing is expected to have transformative influences on many domains, but its practical deployments on industry problems are underexplored. We focus on applying quantum computing to operations management problems in industry, and…
Recent advances in quantum computing systems attract tremendous attention. Commercial companies, such as IBM, Amazon, and IonQ, have started to provide access to noisy intermediate-scale quantum computers. Researchers and entrepreneurs…
Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…
Impurities are ubiquitous in condensed matter. Boundary Conformal Field Theory (BCFT) provides a powerful method to study a localized quantum impurity interacting with a gapless continuum of excitations. The results can also be implied to…
We present an introduction to the Quantum Toolbox in Python (QuTiP) in the context of an undergraduate quantum mechanics class and potential senior research projects. QuTiP provides ready-to-use definitions of standard quantum states and…
This review is designed to introduce mathematicians and computational scientists to quantum computing (QC) through the lens of uncertainty quantification (UQ) by presenting a mathematically rigorous and accessible narrative for…
We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians. Combined with recent advancements in Monte…
Near term quantum devices have the potential to outperform classical computing through the use of hybrid classical-quantum algorithms such as Variational Quantum Eigensolvers. These iterative algorithms use a classical optimiser to update a…
Treating uncertainties in models is essential in many fields of science and engineering. Uncertainty quantification (UQ) on complex and computationally costly numerical models necessitates a combination of efficient model solvers, advanced…
When noisy intermediate scalable quantum (NISQ) devices are applied in information processing, all of the stages through preparation, manipulation, and measurement of multipartite qubit states contain various types of noise that are…
We investigate in this work a recently proposed diagrammatic quantum Monte Carlo method --- the inchworm Monte Carlo method --- for open quantum systems. We establish its validity rigorously based on resummation of Dyson series. Moreover,…
Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure…
Quantum computing (QC) promises to be a transformative technology with impact on various application domains, such as optimization, cryptography, and material science. However, the technology has a sharp learning curve, and practical…