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Classical programming languages cannot model essential elements of complex systems such as true random number generation. This paper develops a formal programming language called the lambda-q calculus that addresses the fundamental…
Traditional methods in quantum chemistry rely on Hartree-Fock-based Slater-determinant (SD) representations, whose underlying zeroth-order picture assumes separability by particle. Here, we explore a radically different approach, based on…
In recent times, quantum reservoir computing has emerged as a potential resource for time series prediction. Hence, there is a need for a flexible framework to test quantum circuits as nonlinear dynamical systems. We have developed a…
When working with algorithms on quantum devices, quantum memory becomes a crucial bottleneck due to low qubit count in NISQ-era devices. In this context, the concept of `divide and compute', wherein a quantum circuit is broken into several…
Commercially available Noisy Intermediate-Scale Quantum (NISQ) devices now make small hybrid quantum-classical experiments practical, but many tools hide configuration or demand ad-hoc scripting. We introduce the Quantum Experiment…
Quantum computing is a radical new paradigm for a technology that is capable to revolutionize information processing. Simulators of universal quantum computer are important for understanding the basic principles and operations of the…
Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…
Sample-based quantum diagonalization (SQD) is an algorithm for hybrid quantum-classical molecular simulation that has been of broad interest for application with noisy intermediate scale quantum (NISQ) devices. However, SQD does not always…
Computational chemistry is the leading application to demonstrate the advantage of quantum computing in the near term. However, large-scale simulation of chemical systems on quantum computers is currently hindered due to a mismatch between…
Developing hardware-efficient implementations of quantum algorithms is crucial in the NISQ era to achieve practical quantum advantage. Here, we construct a generic quantum solver for NP problems based on Grover's search algorithm,…
We present Quokka#, a versatile, open-source Python library for quantum circuit analysis. Quokka# reduces various simulation, verification, and synthesis tasks to weighted model counting (#SAT). It supports universal quantum circuits and a…
We present a hardware-efficient optimization scheme for quantum chemistry calculations, utilizing the Sampled Quantum Diagonalization (SQD) method. Our algorithm, optimized SQD (SQDOpt), combines the classical Davidson method technique with…
Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…
Quantum computer simulation software is an integral tool for the research efforts in the quantum computing community. An important aspect is the efficiency of respective frameworks, especially for training variational quantum algorithms.…
Quantum simulation is known to be capable of simulating certain dynamical systems in continuous time -- Schrodinger's equations being the most direct and well-known -- more efficiently than classical simulation. Any linear dynamical system…
Quantum computing poses a significant global threat to today's security mechanisms. As a result, security experts and public sectors have issued guidelines to help organizations migrate their software to post-quantum cryptography (PQC).…
The Quantum Query Model is a framework that allows us to express most known quantum algorithms. Algorithms represented by this model consist on a set of unitary operators acting over a finite Hilbert space, and a final measurement step…
Making quantum mechanical equations and concepts come to life through interactive simulation and visualization are commonplace for augmenting learning and teaching. However, graphical visualizations nearly always exhibit a set of hard-coded…
Quantum circuit simulators have a long tradition of exploiting massive hardware parallelism. Most of the times, parallelism has been supported by special purpose libraries tailored specifically for the quantum circuits. Quantum circuit…
Quantum entanglement is so fundamentally different from a network packet that several quantum network stacks have been proposed; one of which has even been experimentally demonstrated. Several simulators have also been developed to make up…