BoF Format

• Featured Talks:

  30 min - Distributed Parallel Quantum Simulators on Exa-scale HPC Ecosystems

• Regular Talks:

  30 min / each presentation

• Open/Panel Discussion:

  30 min - Recent progress, ongoing challenges, and future research/development of quantum simulators on Exa-scale HPC Ecosystems.

Authors

• In-Saeng Suh (ORNL) suhi@ornl.gov (Contact and Moderator)
• Yuri Alexeev (NVIDIA) yalexeev@nvidia.com
• Esam El-Araby (KU) esam@ku.edu
• Katherine Klymko (LBNL) kklymko@lbl.gov
• Ang Li (PNNL) ang.li@pnnl.gov
• Dmitry Lyakh (NVIDIA) dlyakh@nvidia.com
• Frank Mueller (NCSU) fmuelle@ncsu.edu
• Amir Shehata (ORNL) shehataa@ornl.gov
• Minh Tran (IBM) minhtran@ibm.com
• Norm Tubman (NASA) norman.m.tubman@nasa.gov

Abstract

In the current era of Noisy Intermediate-Scale Quantum (NISQ) computing, quantum simulators are crucial tools to catalyze significant breakthroughs across diverse scientific domains, including chemistry, materials science, and other complex problem areas. Recognizing their pivotal role, a gathering of experts is being convened to explore the critical and strategic integration of these quantum simulators with massively parallel and distributed high-performance computing (HPC) systems. The primary focus of this exploration will be on two prominent and powerful simulation techniques: Tensor Network methods and Statevector/Density Matrix simulators. This session will provide a deep dive into the synergies between these advanced simulation approaches and the computational power offered by modern supercomputers, setting the stage for the next generation of quantum research. The core agenda of the session is dedicated to addressing key technical and collaborative challenges in this rapidly evolving field. Discussions will concentrate on innovative algorithm design tailored for HPC environments, the development of sophisticated hybrid frameworks that seamlessly combine classical and quantum computational resources, and the crucial task of establishing robust performance benchmarks on large-scale CPU/GPU HPC infrastructures. By bringing together leading researchers, the event aims to highlight the most recent advances, openly discuss persistent challenges, and collaboratively chart future directions for the field. The ultimate objective is to foster a spirit of collaboration and promote effective resource-sharing strategies, thereby accelerating the progress of quantum simulation research and harnessing the power of exa-scale HPC to drive the development of practical and impactful quantum computing applications forward.

Motivation and Objectives

In the current era of Noisy Intermediate-Scale Quantum (NISQ) computing, classical quantum simulators are indispensable. They are critical tools for advancing fields like chemistry, materials science, optimization, and machine learning, allowing for the efficient development, testing, and analysis of quantum circuits, algorithms, and states in a controlled environment. Despite rapid progress in quantum hardware, its present limitations mean that these classical simulators are essential for continued innovation in quantum computing. This Birds of a Feather (BoF) session aims to bring together experts to investigate the integration of these quantum simulators, particularly Tensor Network and Statevector/Density Matrix simulators, with parallel and distributed exa-scale High-Performance Computing (HPC) systems. Our primary objectives are to:

• Discuss the design of optimized quantum algorithms for these simulators;
• Explore the development of hybrid quantum-classical frameworks;
• Establish performance benchmarks on large-scale CPU/GPU HPC infrastructures;
• Foster collaboration and resource-sharing to advance quantum simulation research toward exa-scale capabilities; and
• Accelerate the development of practical quantum computing applications.

Proposed Topics

The workshop will cover, but is not limited to, the following topics:

• Software frameworks for hybrid Q-HPC systems.
• Q-HPC software open standards.
• User interface and Q-HPC system design.
• Workflow management and orchestration in Q-HPC ecosystems.
• Quantum programming languages and HPC integration.
• Optimization algorithms leveraging Q-HPC resources.
• Scalability and performance benchmarks for Q-HPC applications.
• Resource allocation and scheduling strategies in hybrid environments.
• Case studies in large-scale simulations and optimizations using Q-HPC ecosystems in applications such as chemistry, materials science, hyperspectral imagery, and high-energy physics, etc.

Target Audience

The BoF is targeted at:

• Researchers and industry professionals in QC and HPC.
• Software developers and engineers working on distributed and hybrid systems.
• Domain scientists interested in leveraging Quantum HPC Ecosystems for specific applications.
• Domain scientists interested in leveraging Quantum HPC Ecosystems for specific applications.

Proposal

In the rapidly advancing field of quantum computing, classical simulation of quantum systems remains an indispensable tool. Despite the promise of quantum computing to perform tasks exponentially faster than classical computers, current quantum hardware limitations necessitate the continued use of classical simulators. These simulators enable efficient development, testing, and analysis of quantum circuits, algorithms, and states in a controlled environment, thus facilitating progress and innovation in quantum computing. This Birds of a Feather (BoF) session gathers researchers, practitioners, and industry experts to discuss the integration of quantum simulators with exa-scale High-Performance Computing (HPC) systems. This session focuses on the latest developments, challenges, and future directions in the optimization of quantum algorithms for simulators, hybrid quantum-classical frameworks, and the performance assessment of quantum simulators leveraging modern HPC infrastructures. This BoF session will delve into the integration of quantum simulators with exa-scale HPC systems, focusing on Tensor Network and Statevector/Density Matrix simulators. Key themes include:

• Optimization of Quantum Algorithms: Quantum algorithms often require extensive iterations and fine-tuning, which can be resource intensive on actual quantum hardware. Classical simulators provide a cost-effective platform for pre-optimization, enabling researchers to refine circuit parameters before deploying them on quantum devices. Discussions will highlight techniques to enhance the efficiency and accuracy of these simulators, ensuring that they can handle increasingly complex quantum computations.

This session is timely and pertinent for addressing the challenges and opportunities of quantum simulation. We aim to foster a deep understanding of how large-scale HPC platforms can accelerate quantum simulation research, ultimately driving real-world applications of quantum computing. By bringing together experts from various domains, this BoF session seeks to advance the integration of quantum simulators with large-scale HPC infrastructures, ultimately contributing to the broader field of quantum computing and its practical applications. Attendees will gain valuable insight into the latest advances in quantum simulation, the optimization of quantum algorithms, and the imple

BoF Format

• Featured Talks: 30 min - Distributed Parallel Quantum Simulators on Exa-scale HPC Ecosystems
• Regular Talks: 30 min / each presentation
• Open/Panel Discussion: 30 min - Recent progress, ongoing challenges, and future research/development of quantum simulators on Exa-scale HPC Ecosystems.