Advancing Scientific Discovery with Hybrid HPC & Quantum Workflows at SC26
Register Today! Quantum-Centric Supercomputing of Electronic Conductivity in Quantum Materials
Hosted by: University of Illinois Urbana-Champaign (U. of I.), National Center for Supercomputing Applications (NCSA), and the IBM-Illinois Discovery Accelerator Institute (IIDAI).
- Learn how supercomputers and quantum can team up to solve previously intractable computational challenges in materials science and quantum chemistry.
- Receive limited edition pins unique to each session.
- Register now – seats are limited!
The Science & Challenge
Solving Complex Quantum Materials: Cu₃C₆O₆ & Kagome Metallicity
Accurately predicting the properties of quantum materials, candidates for future superconductors, energy-efficient catalysts and advanced electronic devices remains one of computational science’s greatest challenges.
- The Material Focus: Cu₃C₆O₆, a quantum material featuring a triangular lattice geometry that gives rise to potential Kagome metallicity, leading to complex quantum phenomena.
- The Classical Bottleneck: Dynamical Mean-Field Theory (DMFT) is one of the leading approaches for modeling such materials. However, solving the underlying quantum impurity problem scales exponentially with system complexity, making traditional classical calculations computationally costly for realistic simulations.
The Hybrid Workflow Solution
Sample-Based Krylov Quantum Diagonalization (SKQD, arXiv:2501.09702)
To address the impurity solver bottleneck, our team integrated a hybrid quantum-classical algorithm that leverages the complementary strengths of both architectures:
- Quantum Subspace Sampling: SKQD running on IBM Quantum System Two uses quantum sampling to discover the most relevant electronic subspaces that capture the core physics of the material.
- GPU-Accelerated Diagonalization: Reduced subspace problems are offloaded to DeltaAI supercomputing resources, where GPU-accelerated classical solvers compute exact diagonalizations in parallel, with drastic reductions in time and computational overhead.
- End-to-End DMFT Workflow: The result is a seamless, practical quantum-centric supercomputing workflow capable of tackling realistic quantum materials.
Live Demo Schedule & Agenda
Experience the Live Demo at SC26
Join leading scientists and software engineers for live demonstrations on the SC26 exhibition floor!
Location: NCSA Booth #838
Demo Schedule:
- Tuesday, Nov 17: 3:00 PM – 3:30 PM
- Wednesday, Nov 18: 3:00 PM – 3:30 PM
- Thursday, Nov 19: 10:00 AM – 10:30 AM
Session Agenda (30 Minutes)
| Time | Topic & Description | Speaker(s) |
|---|---|---|
| 00:00 – 00:07 | Introduction & Strategic Partnerships — High-level overview of QCSC vision, recognized partners (IBM, NCSA, IIDAI, DeltaAI), and resource allocations. | John Towns (NCSA/U. of I.), Hanhee Paik / Hiroshi Horii (IBM) |
| 00:08 – 00:15 | The Science & Material Challenge — In-depth explanation of Kagome metallicity, electronic conductivity, and DMFT computational challenges. | Andre Schleife (U. of I.) |
| 00:15 – 00:30 | Live Technical Demonstration & Walkthrough — Step-by-step execution across IBM Quantum System 2 and DeltaAI HPC, featuring live performance metrics. | Irma Avdic (IBM), Simon Seymour (U. of I.) Jong Lee (NCSA), Mario Motta (IBM) |
Acknowledgments & Partners
Collaborative Innovation Powering SC26
This demonstration is made possible through joint research and infrastructure contributions from:
- University of Illinois Urbana-Champaign (U. of I.)
- National Center for Supercomputing Applications (NCSA)
- IBM
- IBM-Illinois Discovery Accelerator Institute (IIDAI)
- DeltaAI Project for contributing HPC GPU Resources
- IBM Quantum System Two for the Quantum Allocation
- RIKEN for SBD development