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We study large-scale applications using a GPU-accelerated version of the massively parallel J\"ulich universal quantum computer simulator (JUQCS--G). First, we benchmark JUWELS Booster, a GPU cluster with 3744 NVIDIA A100 Tensor Core GPUs.…

Quantum Physics · Physics 2022-05-17 Dennis Willsch , Madita Willsch , Fengping Jin , Kristel Michielsen , Hans De Raedt

Although several models have been proposed towards assisting machine learning (ML) tasks with quantum computers, a direct comparison of the expressive power and efficiency of classical versus quantum models for datasets originating from…

Quantum Physics · Physics 2020-01-09 Javier Alcazar , Vicente Leyton-Ortega , Alejandro Perdomo-Ortiz

Molecular dynamics (MD) simulations have transformed our understanding of the nanoscale, driving breakthroughs in materials science, computational chemistry, and several other fields, including biophysics and drug design. Even on exascale…

Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…

Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…

Quantum Physics · Physics 2022-02-07 Mahabubul Alam , Swaroop Ghosh

Fraunhofer FIRST develops a computing service and collaborative workspace providing a convenient tool for simulation and investigation of quantum algorithms. To broaden the twenty qubit limit of workstation-based simulations to the next…

Quantum computers (QCs) must implement quantum error correcting codes (QECCs) to protect their logical qubits from errors, and modeling the effectiveness of QECCs on QCs is an important problem for evaluating the QC architecture. The…

Quantum Physics · Physics 2009-11-13 Eric Chi , Stephen A. Lyon , Margaret Martonosi

A scalable and resource-efficient quantum reinforcement learning framework is presented that eliminates the linear qubit-scaling barrier in multi-step quantum Markov decision processes (QMDPs). The proposed framework integrates a QMDP…

Quantum Physics · Physics 2026-04-23 Thet Htar Su , Shaswot Shresthamali , Masaaki Kondo

Although quantum computing offers a promising solution for strongly correlated system simulation, existing algorithms face significant bottlenecks on current noisy intermediate-scale quantum (NISQ) devices. Here, we introduce…

A central challenge in quantum computing is to identify more computational problems for which utilization of quantum resources can offer significant speedup. Here, we propose a hybrid quantum-classical scheme to tackle the quantum optimal…

Quantum Physics · Physics 2017-04-19 Jun Li , Xiaodong Yang , Xinhua Peng , Chang-Pu Sun

Our fully kinetic, implicit Particle-in-Cell (PIC) simulations of global magnetospheres on up to 32,768 of El Capitan's AMD Instinct MI300A Accelerated Processing Units (APUs) represent an unprecedented computational capability that…

Computational Engineering, Finance, and Science · Computer Science 2025-07-29 Stefano Markidis , Andong Hu , Ivy Peng , Luca Pennati , Ian Lumsden , Dewi Yokelson , Stephanie Brink , Olga Pearce , Thomas R. W. Scogland , Bronis R. de Supinski , Gian Luca Delzanno , Michela Taufer

Reservoir computing leverages rich, non-linear dynamics to process temporal data. Quantum variants promise enhanced expressivity from high-dimensional Hilbert spaces, yet their practical applicability is hindered by hardware noise and…

We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…

Quantum computing has demonstrated its significant advantage over supercomputing for specific applications and shown promising prospect, such as machine learning, cryptography, finance, etc.. Quantum oracles are very common in many quantum…

Quantum Physics · Physics 2026-05-21 Zhihang Li , Bo Zhao , Chuanbing Han , Jie Zhao , Jinchen Xu , Guoqiang Shu , Yimin Gao , Woji He , Zheng Shan

Scientific computing needs are growing dramatically with time and are expanding in science domains that were previously not compute intensive. When compute workflows spike well in excess of the capacity of their local compute resource,…

Performance · Computer Science 2020-07-28 I. Sfiligoi , D. Schultz , B. Riedel , F. Wuerthwein , S. Barnet , V. Brik

It is imperative that useful quantum computers be very difficult to simulate classically; otherwise classical computers could be used for the applications envisioned for the quantum ones. Perfect quantum computers are unarguably…

Quantum Physics · Physics 2020-11-26 Yiqing Zhou , E. Miles Stoudenmire , Xavier Waintal

The demonstration of quantum error correction (QEC) is one of the most important milestones in the realization of fully-fledged quantum computers. Toward this, QEC experiments using the surface codes have recently been actively conducted.…

Quantum Physics · Physics 2024-01-12 Mitsuki Katsuda , Kosuke Mitarai , Keisuke Fujii

Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…

Quantum Physics · Physics 2025-08-07 Soohaeng Yoo Willow , D. ChangMo Yang , Chang Woo Myung

Applying quantum chemistry algorithms to large-scale systems requires substantial computational resources scaled with the system size and the desired accuracy. To address this, ByteQC, a fully-functional and efficient package for…

The quantum kernel method has attracted considerable attention in the field of quantum machine learning. However, exploring the applicability of quantum kernels in more realistic settings has been hindered by the number of physical qubits…

Quantum Physics · Physics 2023-09-12 Teppei Suzuki , Tsubasa Miyazaki , Toshiki Inaritai , Takahiro Otsuka