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By leveraging quantum-mechanical properties like superposition, entanglement, and interference, quantum computing (QC) offers promising solutions for problems that classical computing has not been able to solve efficiently, such as drug…
The unknown parameters of simulation models often need to be calibrated using observed data. When simulation models are expensive, calibration is usually carried out with an emulator. The effectiveness of the calibration process can be…
The design and benchmarking of quantum computer architectures traditionally rely on practical hardware restrictions, such as gate fidelities, control, and cooling. At the theoretical and software levels, numerous approaches have been…
Factor models are a class of powerful statistical models that have been widely used to deal with dependent measurements that arise frequently from various applications from genomics and neuroscience to economics and finance. As data are…
Many real-world problems are naturally formulated as higher-order optimization (HUBO) tasks involving dense, multi-variable interactions, which are challenging to solve with classical methods. Quantum optimization offers a promising route,…
Computational methods for designing interactions between colloidal particles that induce self-assembly have received much attention for their promise to discover tailored materials. However, it often remains a challenge to translate…
Nested space-filling designs are nested designs with attractive low-dimensional stratification. Such designs are gaining popularity in statistics, applied mathematics and engineering. Their applications include multi-fidelity computer…
Quantum heuristics have shown promise in solving various optimization problems, including lattice protein folding. Equally relevant is the inverse problem, protein design, where one seeks sequences that fold to a given target structure. The…
Making good predictions of a physical system using a computer code requires the inputs to be carefully specified. Some of these inputs called control variables have to reproduce physical conditions whereas other inputs, called parameters,…
Increasingly deeper integration of HPC resources and QPUs unveils new challenges in computer architecture and engineering. As a consequence, dependability arises again as a concern encompassing resilience, reproducibility and security. The…
Quantum Computing (QC) offers the potential to enhance traditional High-Performance Computing (HPC) workloads by leveraging the unique properties of quantum computers, leading to the emergence of a new paradigm: HPC-QC. While this…
Quantum computing as a promising technology can utilize stochastic solutions instead of deterministic approaches for complicated scenarios for which classical computing is inefficient, provided that both the concerns of the error-prone…
Quantum processing unit (QPU) has to satisfy highly demanding quantity and quality requirements on its qubits to produce accurate results for problems at useful scales. Furthermore, classical simulations of quantum circuits generally do not…
Understanding the physics of strongly correlated materials is one of the grand challenge problems for physics today. A large class of scientifically interesting materials, from high-$T_c$ superconductors to spin liquids, involve medium to…
Quantum Layout Synthesis (QLS) plays a crucial role in optimizing quantum circuit execution on physical quantum devices. As we enter the era where quantum computers have hundreds of qubits, we are faced with scalability issues using optimal…
The requirement of performing both single-qubit and two-qubit operations in the implementation of universal quantum logic often leads to very demanding constraints on quantum computer design. We show here how to eliminate the need for…
The optimal design of compounds through manipulating properties at the molecular level is often the key to considerable scientific advances and improved process systems performance. This paper highlights key trends, challenges, and…
In the emerging field of Fault Tolerant Quantum Computation (FTQC), resource estimation is an important tool for quantitatively comparing prospective architectures, identifying hardware bottlenecks and informing which research paths are…
A new type of experiment that aims to determine the optimal quantities of a sequence of factors is eliciting considerable attention in medical science, bioengineering, and many other disciplines. Such studies require the simultaneous…
Polycube segmentations for 3D models effectively support a wide variety of applications such as seamless texture mapping, spline fitting, structured multi-block grid generation, and hexahedral mesh construction. However, the automated…