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The paradigm behind digital quantum computing inherits the idea of using binary information processing. Nature in fact gives much more rich structures of physical objects that can be used for encoding information, which is especially…
Quantum computing promises breakthroughs in simulating and solving complex, classically intractable problems. However, current noisy intermediate-scale quantum (NISQ) devices are relatively small and error-prone, prohibiting large-scale…
Quantum computing is poised to dramatically change the computational landscape, worldwide. Quantum computers can solve complex problems that are, at least in some cases, beyond the ability of even advanced future classical-style computers.…
Molecular-level understanding of the interactions between the constituents of an atomic structure is essential for designing novel materials in various applications. This need goes beyond the basic knowledge of the number and types of…
Quantum thermometry plays a critical role in the development of low-temperature sensors and quantum information platforms. In this work, we propose and theoretically analyze a hybrid circuit quantum electrodynamics architecture in which a…
Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…
The holographic principle and its realization in the AdS/CFT correspondence led to unexpected connections between general relativity and quantum information. This set the stage for studying aspects of quantum gravity models, which are…
This paper presents the design of scalable quantum networks that utilize optical switches to interconnect multiple quantum processors, facilitating large-scale quantum computing. By leveraging these novel architectures, we aim to address…
In recent years, various vendors have made quantum software frameworks available. Yet with vendor-specific frameworks, code portability seems at risk, especially in a field where hardware and software libraries have not yet reached a…
We have demonstrated a prototypical hybrid classical and quantum computational workflow for the quantification of protein-ligand interactions. The workflow combines the Density Matrix Embedding Theory (DMET) embedding procedure with the…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…
Any architecture for practical quantum computing must be scalable. An attractive approach is to create multiple cores, computing regions of fixed size that are well-spaced but interlinked with communication channels. This exploded…
We present an overview of quantum key distribution (QKD), a secure key exchange method based on the quantum laws of physics rather than computational complexity. We also provide an overview of the two most widely used commodity security…
Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximations that often fail to capture the complexity of many-body…
The "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis…
We explore the potential application of quantum annealing to address the protein structure problem. To this end, we compare several proposed ab initio protein folding models for quantum computers and analyze their scaling and performance…
Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…
Recent advances in quantum technologies are rapidly stimulating the building of quantum networks. With the parallel development of multiple physical platforms and different types of encodings, a challenge for present and future networks is…