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This breakthrough demonstrates a significant scaling milestone in quantum chemistry, where Quantinuum's System Model H2 successfully simulated complex NMR spectra that exceed classical computational limits. By accurately modeling the benchmark compound 1,2-di-tert-butyl-diphosphane with over 1,400 two-qubit gates, the team validates quantum hardware's potential to accelerate drug discovery and materials science without relying on error correction yet.

Source coveringQuantum Zeitgeist

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HQS Quantum Simulations and Quantinuum tackle a chemistry bottleneck

Quantum ZeitgeistOctober 19, 20265 min read

HQS Quantum Simulations and Quantinuum just published the most accurate 1 large-scale quantum simulation of Nuclear Magnetic Resonance (NMR) to date, pointing to new frontiers in computational chemistry. Quantum computers offer a different approach to NMR, as the computational cost of simulating systems increases exponentially on classical computers.

Quantinuum’s System Model H2 quantum computer has achieved what researchers believe is the most accurate large-scale quantum simulation of Nuclear Magnetic Resonance (NMR) to date, a computationally intensive process for conventional computers, the company says. The joint team with HQS Quantum Simulations ran an end-to-end simulation reproducing key spectral features that “previous hardware demonstrations were unable to capture.” Interpreting NMR experiments becomes exponentially more expensive for classical computers as the number of interacting nuclear spins grows. But quantum computers offer a fundamentally different approach to tackling this challenge. This advance points to new frontiers…

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