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Osaka University uses 1,024 NVIDIA H100 GPUs to achieve world's largest quantum chemistry circuit simulation
Thursday, March 12, 2026 at 09:46 AM
Researchers at Osaka University developed the chemqulacs-gpu simulator and utilized 1,024 NVIDIA H100 GPUs on the ABCI-Q supercomputer to break the 40-qubit barrier in quantum chemistry simulations. The team successfully simulated a 42-spin orbital system for H2O and a 41-qubit circuit for Fe2S2, expanding the scale of molecular complexity manageable in quantum algorithm development.
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Researchers at Osaka University have achieved the world’s largest quantum chemistry circuit simulation by utilizing 1,024 NVIDIA H100 GPUs on the ABCI-Q supercomputer. Using their proprietary chemqulacs-gpu simulator, the team successfully surpassed the long-standing 40-qubit computational barrier. Specifically, they performed a 42-spin orbital calculation for water molecules and a 41-qubit circuit simulation for complex iron-sulfur clusters, which are critical for understanding biological energy conversion.
This breakthrough, announced around March 2026, demonstrates the power of hybrid GPU-quantum workflows in accelerating industrial material discovery. By enabling simulations of significantly larger and more complex molecular systems than previously possible, NVIDIA's hardware and software stack are bridging the gap between theoretical quantum algorithms and practical application in condensed matter physics. This milestone solidifies Japan’s position as a leader in quantum-centric supercomputing and highlights the increasing reliance on Hoppper-architecture GPUs to validate future fault-tolerant quantum systems.
Sources (10)
Faster Quantum Measurement Algorithm Enhanced by Symmetry: Toward the practical realization of fault-tolerant quantum simulationAccelerating AI-Powered Chemistry and Materials Science Simulations with NVIDIA ALCHEMI Toolkit-Ops | NVIDIA Technical BlogNVIDIA Powers World’s Largest Quantum Research Supercomputer | NVIDIA NewsroomAuxiliary-field quantum Monte Carlo method with quantum selected configuration interactionGitHub - qiqb-osaka/chemqulacs-gpu · GitHub独自の並列計算技術により従来の限界を突破し、量子コンピュータ ...Quantum-centric Supercomputing for Materials ScienceResearch on Quantum Circuit Learning Models for Molecular Dynamics Simulation | The Journal of Physical Chemistry A
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