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Classical optimization algorithms in machine learning often take a long time to compute when applied to a multi-dimensional problem and require a huge amount of CPU and GPU resource. Quantum parallelism has a potential to speed up machine…

Quantum Physics · Physics 2019-11-21 Venkat R. Dasari , Mee Seong Im , Lubjana Beshaj

Quantum computing (QC) introduces a novel mode of computation with the possibility of greater computational power that remains to be exploited - presenting exciting opportunities for high performance computing (HPC) applications. However,…

Instruction scheduling is a key compiler optimization in quantum computing, just as it is for classical computing. Current schedulers optimize for data parallelism by allowing simultaneous execution of instructions, as long as their qubits…

We introduce PennyLane's Lightning suite, a collection of high-performance state-vector simulators targeting CPU, GPU, and HPC-native architectures and workloads. Quantum applications such as QAOA, VQE, and synthetic workloads are…

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…

Quantum Physics · Physics 2026-05-01 Calvin Ku , Yu-Cheng Chen , Alice Hu , Min-Hsiu Hsieh

The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the…

Quantum Physics · Physics 2024-06-21 Chuan-Chi Wang , Yu-Cheng Lin , Yan-Jie Wang , Chia-Heng Tu , Shih-Hao Hung

Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering…

Chemical Physics · Physics 2022-08-12 Tianchen Zhao , James Stokes , Shravan Veerapaneni

Chemistry and materials science are widely regarded as potential killer application fields for quantum hardware. While the dream of unlocking unprecedented simulation capabilities remains compelling, quantum algorithm development must adapt…

Quantum Physics · Physics 2026-03-20 Davide Castaldo , Markus Reiher

We present a framework that utilizes quantum algorithms, an architecture aware quantum noise model and an ideal simulator to benchmark quantum computers. The benchmark metrics highlight the difference between the quantum computer evolution…

Quantum Physics · Physics 2021-12-20 Konstantinos Georgopoulos , Clive Emary , Paolo Zuliani

Quantum computing promises exponential speed-ups for important simulation and optimization problems. It also poses new CAD problems that are similar to, but more challenging, than the related problems in classical (non-quantum) CAD, such as…

Quantum Physics · Physics 2011-11-04 George F. Viamontes , Igor L. Markov , John P. Hayes

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

Classical program analysis techniques, such as abstract interpretation and symbolic execution, are essential for ensuring software correctness, optimizing performance, and enabling compiler optimizations. However, these techniques face…

Quantum Physics · Physics 2025-10-14 Yicheng Guang , Pietro Zanotta , Kai Zhou , Yueqi Chen , Ramin Ayanzadeh

Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-03-03 Jana Pazúriková

In this paper we present a simulation environment enhanced with parallel processing which can be used on personal computers, based on a high-level user interface developed on Mathematica\copyright which is connected to C++ code in order to…

Quantum Physics · Physics 2011-03-09 Sandra Díaz-Pier , Salvador E. Venegas-Andraca , José Luis Gómez-Muñoz

Powerful hardware services and software libraries are vital tools for quickly and affordably designing, testing, and executing quantum algorithms. A robust large-scale study of how the performance of these platforms scales with the number…

Quantum computation holds the promise of solving computational problems which are believed to be classically intractable. However, in practice, quantum devices are still limited by their relatively short coherence times and imperfect…

Quantum Physics · Physics 2023-12-22 Sagar Silva Pratapsi , Diogo Cruz

Quantum simulations consist in the intentional reproduction of physical or unphysical models into another more controllable quantum system. Beyond establishing communication vessels between unconnected fields, they promise to solve complex…

Quantum Physics · Physics 2018-04-24 Lucas Lamata , Adrian Parra-Rodriguez , Mikel Sanz , Enrique Solano

Classical simulators play a major role in the development and benchmark of quantum algorithms and practically any software framework for quantum computation provides the option of running the algorithms on simulators. However, the…

Quantum Physics · Physics 2022-05-04 Gian Giacomo Guerreschi

State-of-the-art noisy intermediate-scale quantum devices (NISQ), although imperfect, enable computational tasks that are manifestly beyond the capabilities of modern classical supercomputers. However, present quantum computations are…

Despite numerous advances in the field and a seemingly ever-increasing amount of investment, we are still some years away from seeing a production quantum computer in action. However, it is possible to make some educated guesses about the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-22 James H. Davenport , Jessica R. Jones , Matthew Thomason