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Developing state-of-the-art classical simulators of quantum circuits is of utmost importance to test and evaluate early quantum technology and understand the true potential of full-blown error-corrected quantum computers. In the past few…

Quantum Physics · Physics 2022-01-03 Salvatore Mandrà , Jeffrey Marshall , Eleanor G. Rieffel , Rupak Biswas

Turbulent flows are of central importance across applications in science and engineering problems. For design and analysis, scientists and engineers use Computational Fluid Dynamics (CFD) simulations using turbulence models. Turbulent…

Fluid Dynamics · Physics 2023-10-18 Minghan Chu , Weicheng Qian

To realize the full potential of quantum computers, we must mitigate qubit errors by developing noise-aware algorithms, compilers, and architectures. Thus, simulating quantum programs on high-performance computing (HPC) systems with…

Quantum Physics · Physics 2025-05-20 Meng Wang , Swamit Tannu , Prashant J. Nair

Efficient job scheduling and resource management contribute towards system throughput and efficiency maximization in high-performance computing (HPC) systems. In this paper, we introduce a scalable job scheduling and resource management…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-31 Abubeker Abdurahman , Abrar Hossain , Kevin A Brown , Kazutomo Yoshii , Kishwar Ahmed

Rapid advances in quantum computing technology lead to an increasing need for software simulators that enable both algorithm design and the validation of results obtained from quantum hardware. This includes calculations that aim at probing…

Quantum Physics · Physics 2025-01-09 Amit Jamadagni , Andreas M. Läuchli , Cornelius Hempel

As compute power increases with time, more involved and larger simulations become possible. However, it gets increasingly difficult to efficiently use the provided computational resources. Especially in particle-based simulations with a…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-05 Sebastian Eibl , Ulrich Rüde

A wide range of sustainability and grid-integration strategies depend on workload shifting, which aligns the timing of energy consumption with external signals such as grid curtailment events, carbon intensity, or time-of-use electricity…

Data Structures and Algorithms · Computer Science 2025-10-01 Ezra Johnson , Adam Lechowicz , Mohammad Hajiesmaili

Large language models (LLMs) exhibit impressive fluency, but often produce critical errors known as "hallucinations". Uncertainty quantification (UQ) methods are a promising tool for coping with this fundamental shortcoming. Yet, existing…

Uncertainty Quantification (UQ) is a key discipline for computational modeling of complex systems, enhancing reliability of engineering simulations. In crashworthiness, having an accurate assessment of the behavior of the model uncertainty…

Methodology · Statistics 2021-09-17 Marc Rocas , Alberto García-González , Sergio Zlotnik , Xabier Larráyoz , Pedro Díez

Quantum circuit execution is the central task in quantum computation. Due to inherent quantum-mechanical constraints, quantum computing workflows often involve a considerable number of independent measurements over a large set of slightly…

Quantum Physics · Physics 2024-06-06 Daniel Claudino , Dmitry I. Lyakh , Alexander J. McCaskey

Uncertainty Quantification (UQ) is a booming discipline for complex computational models based on the analysis of robustness, reliability and credibility. UQ analysis for nonlinear crash models with high dimensional outputs presents…

Computational Engineering, Finance, and Science · Computer Science 2021-03-31 Marc Rocas , Alberto García-González , Xabier Larrayoz , Pedro Díez

Quantum computing resources are increasingly being incorporated into high-performance computing (HPC) environments as co-processors for hybrid workloads. To support this paradigm, quantum devices must be treated as schedulable first-class…

On top of machine learning models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and…

Machine Learning · Computer Science 2024-03-28 Venkat Nemani , Luca Biggio , Xun Huan , Zhen Hu , Olga Fink , Anh Tran , Yan Wang , Xiaoge Zhang , Chao Hu

The convergence of IoT, Edge, Cloud, and HPC technologies creates a compute continuum that merges cloud scalability and flexibility with HPC's computational power and specialized optimizations. However, integrating cloud and HPC resources…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-20 Aasish Kumar Sharma , Christian Boehme , Patrick Gelß , Ramin Yahyapour , Julian Kunkel

Machine learning methods for the construction of data-driven reduced order model models are used in an increasing variety of engineering domains, especially as a supplement to expensive computational fluid dynamics for design problems. An…

Machine Learning · Statistics 2023-06-28 Stephen Guth , Alireza Mojahed , Themistoklis P. Sapsis

Uncertainty is fundamental in modern power systems, where renewable generation and fluctuating demand make stochastic optimization indispensable. The chance constrained unit commitment problem (UCP) captures this uncertainty but rapidly…

Quantum Physics · Physics 2025-12-04 David Ribes , Tatiana Gonzalez Grandon

The rapid integration of renewable energy resources presents formidable challenges in managing power grids. While advanced computing and machine learning techniques offer some solutions for accelerating grid modeling and simulation, there…

Quantum Physics · Physics 2024-12-12 Muqing Zheng , Yousu Chen , Xiu Yang , Ang Li

The present paper deals with the problem of improving the efficiency of large scale turbulent flow simulations. The high-fidelity methods for modelling turbulent flows become available for a wider range of applications thanks to the…

Computational Physics · Physics 2018-04-10 Boris Krasnopolsky

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

Recent computations involving quantum processing units (QPUs) have demonstrated a series of challenges inherent to hybrid classical-quantum programming, compilation, execution, and verification and validation. Despite considerable progress,…

Quantum Physics · Physics 2018-05-24 Alexander McCaskey , Eugene Dumitrescu , Dmitry Liakh , Travis Humble