OTI Lumionics and SAIT Achieve 200-Qubit Quantum Emulation on Classical Hardware

OTI Lumionics, in collaboration with the Samsung Advanced Institute of Technology, announced the publication of a manuscript in the Journal of the American Chemical Society benchmarking its proprietary Iterative Qubit Coupled Cluster method. The optimized C++ implementation executed 200-plus qubit quantum emulations of OLED emitter materials as classical simulations of the quantum algorithm on a single commercial AMD CPU using 32 processes and approximately 800 GB of RAM. Further validation on readily accessible Blackwell systems produced a reported 90× performance increase over traditional CPU environments.

iQCC Method and Hardware Requirements

The study builds on earlier work in the Journal of Chemical Theory and Computation and benchmarks the Iterative Qubit Coupled Cluster algorithm against classical approaches for 14 OLED emitter materials, focusing on strongly correlated triplet states of Ir(III) and Pt(II) phosphorescent complexes. The optimized implementation ran the emulations on readily available classical hardware, specifically a single commercial AMD CPU chip. Additional testing on accessible NVIDIA Blackwell systems reduced complex 112-qubit ground-state energy calculations to approximately one hour. According to Dr. Scott Genin, VP of Materials Discovery at OTI Lumionics, for the materials tested, standard classical methods broke down and produced unusable results, while the iQCC approach succeeded and indicated that accuracy need not be constrained by the size of available quantum hardware for these systems.

Materials Discovery for OLED Applications

The collaboration combines OTI Lumionics quantum algorithms with experimental materials expertise from the Samsung Advanced Institute of Technology to support accelerated discovery of next-generation OLED emitters for consumer electronics and automotive displays. By enabling high-fidelity classical emulation of the quantum algorithm on standard server hardware rather than cost-prohibitive supercomputing clusters, the work can lower barriers for industrial materials pipelines. Dr. Tommy Ohyun Kwon, Principal Researcher at SAIT, stated that the study establishes a foundational framework for accelerated materials design and simulation, offering a reliable and high-efficiency alternative to traditional trial-and-error discovery methods. The findings also raise the bar for future fault-tolerant quantum systems seeking an advantage on comparable molecular electronic-structure problems.

Bottom Line

The results demonstrate that high-fidelity quantum-chemistry emulation of the tested OLED materials can be performed at 200-plus-qubit scale on commercially available classical hardware.

Find out more here.

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