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Context: The emergence of quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. The ability of quantum computers to scale computations beyond what the…
Embedding of a knowledge graph(KG) entities and relations in the form of vectors is an important aspect for the manipulation of the KG database for several downstream tasks, such as link prediction, knowledge graph completion, and…
The modeling of physical processes is an integral part of scientific and technical research. In this area, the Extendible C++ Application in Quantum Technologies (ECAQT) package provides the numerical simulations and modeling of complex…
Computational chemistry has become an indispensable tool for generating data and insights, pervading all branches of experimental chemistry. Its most central concept is the potential energy hypersurface, key to all chemistry and materials…
Quantum computers have the potential to solve some important industrial and scientific problems with greater efficiency than classical computers. While most current realizations focus on two-level qubits, the underlying physics used in most…
Quantum Key Distribution (QKD) is rapidly transitioning from cutting-edge laboratory research to real-world deployment in established communication networks. Although QKD promises future-proof security, practical challenges stil exist due…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…
In modern power systems, edge devices serve as local hubs that collect data, perform on-site computing, sense electrical parameters, execute control actions, and communicate with neighboring edge devices as part of the larger grid. However,…
Waveguides potentially offer an effective medium for interconnecting quantum processors within a modular framework, facilitating the coherent quantum state transfer between the qubits across separate chips. In this work, we analyze a…
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…
Implementing a qubit quantum computer in continuous-variable systems conventionally requires the engineering of specific interactions according to the encoding basis states. In this work, we present a unified formalism to conduct universal…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
In distributed quantum information processing, flying photons entangle matter qubits confined in cavities. However, when a matter qubit is homogeneously broadened, the strong-coupling regime of cavity QED is typically required, which is…
Quantum Key Distribution (QKD) is a means of generating keys between a pair of computing hosts that is theoretically secure against cryptanalysis, even by a quantum computer. Although there is much active research into improving the QKD…
Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…
Connecting multiple processors via quantum interconnect technologies could help overcome scalability issues in single-processor quantum computers. Transmission via these interconnects can be performed more efficiently using quantum…
Quantum mechanics/molecular mechanics (QM/MM) hybrid models allow one to address chemical phenomena in complex molecular environments. Whereas this modeling approach can cope with a large system size at moderate computational costs, the…
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…
We provide a theoretical framework to describe the dynamics of a free-electron beam interacting with quantized bound systems in arbitrary electromagnetic environments. This expands the quantum optics toolbox to incorporate free-electron…