Science Gateway's Current and Future Role in Quantum - Panel

Science Gateway’s Current and Future Role in Quantum 1st Sean B. Cleveland University of Hawaii -System Information Technology Services - Cyberinfrastructure Honolulu, USA [email protected] 2nd Sandra Gesing San Diego Supercomputer Center Director of SGX3 San Diego, USA [email protected] Abstract—Quantum research and Quantum computing are rapidly emerging as a transformative, yet there are significant barriers to widespread research and adoption. Science Gateways, established cyberinfrastructure (CI) mechanisms designed to simplify access to complex computational resources and foster community collaboration, are uniquely positioned to bridge this gap. This panel will explore the critical role Science Gateways can play in accelerating quantum research and adoption in both the near and long term. We will discuss how existing gateway frameworks, methodologies for user engagement, and strategic planning processes (like Blueprint Factories) can be adapted to support quantum scientists, educators, and industry partners. The discussion will cover strategies for simplifying access to quantum hardware and software, developing a skilled quantum workforce, ensuring sustainable funding for quantum CI, and fostering a collaborative quantum research ecosystem Index Terms— I. PANEL RATIONAL AND OVERVIEW Science Gateways are defined as ”web-based platforms that allow large audiences of researchers, educators, students, and the public to access complex, expensive resources such as supercomputers, scientific instruments, and large data sets”. They serve to simplify connections to resources such as supercomputers, large storage networks, computational tools and software, and data sets, often hiding complexity behind simple or domain-specific interfaces. This has led to a significant broadening of access to computational resources for research and education, with Science Gateway-based users outnumbering command-line users of projects like NSF-funded XSEDE since 2014, amplifying access by a factor of more than three for HPC batch jobs. SGX3, a National Science Foundation (NSF)-funded Center of Excellence, focuses on extending access, expanding the community, and exemplifying good practices for CI through science gateways. The nascent field of quantum computing presents an opportunity for Science Gateways to play an equally transformative role. Quantum resources, much like high-performance computing (HPC) in its early stages, are complex and often inaccessible to researchers without specialized expertise. This panel aims to address how Science Gateways can lower these barriers and foster a robust quantum research and development ecosystem. II. SCIENCE GATEWAY’SROLE IN QUANTUM RESEARCH AND ADOPTION Near-Term Aid: •Democratizing Access and Facilitating Early Research: In the near term, Science Gateways can provide immediate and practical support for quantum research and adoption by leveraging their existing capabilities and proven methodologies: •Simplifying Access to Quantum Hardware and Software: Science Gateways excel at simplifying access to complex resources, allowing users to execute computationally intensive work without needing to create code or understand underlying system complexities. This is directly applicable to quantum computing, where researchers can be provided with user-friendly interfaces to quantum processors (QPUs), quantum programming libraries, and simulation tools. This approach can vastly reduce the time and effort needed to engage in quantum experimentation. •Leveraging Existing Frameworks and Consultancies: Proven gateway frameworks like nanoHUB (built on HUBzero) and Galaxy, which host and share data and tools at scale, can be adapted or extended to include quantum tools and data sets. SGX3 offers Technical Consultancy and UX Consultancy services to help projects define their needs and create roadmaps, which can directly benefit new quantum gateway initiatives by providing expertise in design, deployment, and operation. •Structured Data Management and Workflows: Quantum research generates unique data types and requires specific workflows. Science Gateways already address challenges related to data management, provenance, reproducibility, and FAIR (Findability, Accessibility, Interoperability, and Reuse) principles. This infrastructure can be vital for managing quantum experimental results, simulation data, and algorithm development. •Accelerated Workforce Development: SGX3 has a strong track record in workforce development through student programs (internships, hackathons) and faculty training, with a special emphasis on recruiting from underrepresented groups. These programs can be tailored to train the next generation of quantum researchers, software engineers, and educators, addressing the critical need for skilled personnel in the quantum space. •Community Building and Knowledge Sharing: Gateways naturally foster communities of practice. For quantum computing, this means creating online spaces for researchers, developers, and users to interact, share insights, discuss challenges, and collaborate. This includes forums, shared repositories for quantum algorithms or datasets, and virtual workspaces. A. Long-Term Aid –Shaping the Future Quantum CI Ecosystem In the long term, Science Gateways can contribute to the sustainable growth and broad impact of quantum computing by: –How Proactive ”Blueprint Factory” Initiatives: SGX3’s Blueprint Factories are designed to conduct ”forward-looking studies of next-generation Science Gateway capabilities” and synthesize discoveries into ”practical white papers outlining the discoveries and providing CI blueprints”. A dedicated ”Quantum Blueprint Factory” could bring together CI professionals, quantum scientists, and infrastructure operators to identify long-term CI needs, develop new design patterns, and propose technological directions for quantum computing. –Addressing Sustainability Challenges Systemically: The ”Sustainability Blueprint Factory” report highlights persistent challenges like ”too many gateways, trying to do it all” and the need for ”borrow, don’t build” approaches. Applying these lessons to quantum computing can prevent fragmentation and promote the development of robust, reusable quantum CI components, leading to more efficient solutions. –Fostering Collaborative Funding and Governance Models: Sustainable funding is a major challenge for digital initiatives. The panel will explore how collaborative funding mechanisms (e.g., pooled funding, funder ”sustainability” tracks) and effective governance models (e.g., consortia) can be adapted to ensure the long-term viability of quantum CI, potentially shifting the notion of who ought to be paying for core infrastructure. –Integrating Advanced Computational Paradigms: Science Gateways are already evolving to embrace new computational paradigms, including machine learning and artificial intelligence, and to address challenges with orchestrating large training data sets on specialized resources. This experience is crucial for supporting quantum machine learning and optimization problems, which are expected to be key applications of quantum computers. –Expanding Beyond STEM: Science Gateways have expanded their scope beyond traditional STEM fields to include humanities and social sciences, recognizing common challenges across disciplines. This broader perspective can ensure that quantum computing’s benefits are explored and made accessible across a wider array of scholarly and societal domains. III. PANEL STRUCTURE The panel will consist of a moderator and 3-5 speakers representingdiverse perspectives crucial to the intersection of science gateways and quantum computing. Each speaker will present for approximately 10-12 minutes, followed by a moderated discussion and QA session with the audience. –Moderator: A leader from SGX3 or a related CI center, experienced in facilitating interdisciplinary discussions and knowledgeable about both Science Gateways and emerging technologies. (e.g., Sandra Gesing, SGX3 Director and PI) –Panelist 1: Cyberinfrastructure Expert: A specialist in designing and implementing large-scale CI, particularly with experience in gateway frameworks and distributed computing. –Panelist 2 3: Quantum Domain Scientists: Researcher actively engaged in quantum computing or quantum information science, who can articulate the specific CI needs and challenges from a domain perspective. –Panelist 4: Funding Agency Representative: A program officer from a relevant funding agency (e.g., NSF, NIH) who can discuss funding strategies, mandates for open science, and the role of sustainable CI in supporting cutting-edge research. –Panelist 5: Institutional Support Lead: An administrator from a university or national lab responsible for supporting digital initiative. IV. EXAMPLE QUESTIONS FOR THE PANEL To stimulate a rich discussion, the panel will explore questions such as: A. Near-Term Adoption –What are the most immediate and critical cyberinfrastructure needs for quantum computing researchers that Science Gateways can address today? –How can existing Science Gateway frameworks and services (e.g., technical or UX consultancy) be best adapted to support the rapid development of quantum-focused platforms? –What are the primary barriers preventing quantum researchers from effectively utilizing current computational resources, and how can Science Gateways specifically mitigate these? –Can ”borrow, don’t build” principles, championed by Science Gateways, effectively apply to the stillevolving quantum software stack to accelerate adoption? B. Long-Term Research and Ecosystem Development – •What ”next-generation” CI capabilities will be essential for quantum computing in 5-10 years, and how can a ”Quantum Blueprint Factory” help define these? •How can Science Gateways foster a collaborative quantum research ecosystem that encourages sharing of code, data, and methodologies across institutions and disciplines? •How can Science Gateways contribute to building a diverse and skilled quantum workforce, and what specific training and educational initiatives should be prioritized? •Beyond scientific research, what potential societal impacts could quantum-enabled Science Gateways unlock, and how can we design them to maximize public access and benefit? In addition to some of this example pre-identified questions, the panel will take questions from the audience. V. CONCLUSION The importance of Quantum research and Quantum information science and computing necessitates the science gateways community to discuss opportunities and gaps in the current landscape. This panel will aid in bringing the gateways community together to think about this important focus area. This panel aims to provide valuable insights and practical directions for leveraging the proven success of Science Gateways to navigate the complexities and unlock the immense potential of quantum for the global research community.