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Quantum computers are a highly promising tool for efficiently simulating quantum many-body systems. The preparation of their eigenstates is of particular interest and can be addressed, e.g., by quantum phase estimation algorithms. The…
Recent advances in materials informatics have expanded the number of synthesizable materials. However, screening promising candidates, such as semiconductors, based on defect properties remains challenging. This is primarily due to the lack…
In support of the growing interest in quantum computing experimentation, programmers need new tools to write quantum algorithms as program code. Compared to debugging classical programs, debugging quantum programs is difficult because…
Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scientific problems. Still, the precision of different packages…
We characterize excited state quantum phase transitions in the two dimensional limit of the vibron model with the quantum fidelity susceptibility, comparing the obtained results with the information provided by the participation ratio. As…
Tailoring the functional properties of advanced organic/inorganic heterogeonous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the device. Atomistic quantum mechanical…
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…
Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…
The rise of quantum computing has driven the need for quantum software engineering, yet its programming landscape remains largely unexplored in empirical research. As quantum technologies advance toward industrial adoption, understanding…
Quantum computing is changing the way we think about computing. Significant strides in research and development for managing and harnessing the power of quantum systems has been made in recent years, demonstrating the potential for…
Characterizing quantum flakes is a critical step in quantum hardware engineering because the quality of these flakes directly influences qubit performance. Although computer vision methods for identifying two-dimensional quantum flakes have…
Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we…
Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…
Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental…
Producing quantum states at random has become increasingly important in modern quantum science, with applications both theoretical and practical. In particular, ensembles of such randomly-distributed, but pure, quantum states underly our…
The accurate detection of small deviations in given density matrices is important for quantum information processing. Here we propose a new method based on the concept of data mining. We demonstrate that the proposed method can more…
Quantum entanglement is widely recognized as one of the key resources for the advantages of quantum information processing, including universal quantum computation, reduction of communication complexity or secret key distribution. However,…
Sensitive data captured by Industrial Control Systems (ICS) play a large role in the safety and integrity of many critical infrastructures. Detection of anomalous or malicious data, or Anomaly Detection (AD), with machine learning is one of…
Reliable preparation of entanglement between distant systems is an outstanding problem in quantum information science and quantum communication. In practice, this has to be accomplished via noisy channels (such as optical fibers) that…
Demonstrating quantum advantage has been a pressing challenge in the field. Most claimed quantum speedups rely on a subroutine in which classical information can be accessed in a coherent quantum manner, which imposes a crucial constraint…