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Quantum computing (QC) is a new paradigm that will revolutionize various areas of computing, especially cloud computing. QC, still in its infancy, is a costly technology capable of operating in highly isolated environments due to its rapid…
Quantum computing exploits quantum phenomena such as superposition and entanglement to realize a form of parallelism that is not available to traditional computing. It offers the potential of significant computational speed-ups in quantum…
Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastable structures, electronic structure, surface, and…
This whitepaper surveys the current landscape and short- to mid-term prospects for quantum-enabled optimization and machine learning use cases in industrial settings. Grounded in the QCHALLenge program, it synthesizes hardware trajectories…
While researchers in both industry and academia are racing to build Quantum Computing (QC) platforms with viable performance and functionality, the environmental impacts of this endeavor, such as its carbon footprint, e-waste generation,…
This paper describes HyperStream, a large-scale, flexible and robust software package, written in the Python language, for processing streaming data with workflow creation capabilities. HyperStream overcomes the limitations of other…
Quantum resources are increasingly integrated into high-performance computing (HPC) and cloud environments, but quantum high-performance computing (QHPC) software stacks remain isolated, often proprietary, full-stack solutions lacking…
Cutting edge classical computing today relies on a combination of CPU-based computing with a strong reliance on accelerators. In particular, high-performance computing (HPC) and machine learning (ML) rely heavily on acceleration via GPUs…
Demonstrating quantum advantage for combinatorial optimization requires more than standalone algorithmic results; it calls for end-to-end case studies that integrate problem modelling, quantum execution, and classical refinement into…
We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…
Quantum computing offers new ways to explore the theory of computation via the laws of quantum mechanics. Due to the rising demand for quantum computing resources, there is growing interest in developing cloud-based quantum resource sharing…
Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage, namely a significant (in some cases exponential) speed-up…
AlphaFold has achieved groundbreaking advancements in protein structure prediction, exerting profound influence across biology, medicine, and drug discovery. However, its reliance on multiple sequence alignment (MSA) is inherently…
Quantum processing units (QPUs) are currently exclusively available from cloud vendors. However, with recent advancements, hosting QPUs is soon possible everywhere. Existing work has yet to draw from research in edge computing to explore…
Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…
Hybrid quantum-classical machine learning represents a frontier in computational research, combining the potential advantages of quantum computing with established classical optimization techniques. PennyLane provides a Python framework…
Quantum computing is an emerging paradigm with the potential to offer significant computational advantage over conventional classical computing by exploiting quantum-mechanical principles such as entanglement and superposition. It is…
To harness the potential of advanced computing technologies, efficient (real time) analysis of large amounts of data is as essential as are front-line simulations. In order to optimise this process, experts need to be supported by…
As quantum technologies continue to advance, the proliferation of hardware architectures with diverse capabilities and limitations has underscored the importance of benchmarking as a tool to compare performance across platforms. Achieving…
Quantum computing (QC) is a new paradigm offering the potential of exponential speedups over classical computing for certain computational problems. Each additional qubit doubles the size of the computational state space available to a QC…