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Researchers have successfully simulated the NMR spectrum of a complex molecule on Quantinuum's trapped-ion system, achieving a gate depth of 1442 that surpasses previous hardware limitations. This milestone demonstrates significant progress in quantum simulation capabilities for modeling intricate molecular interactions previously inaccessible to existing quantum processors. The results validate trapped-ion technology as a viable platform for high-accuracy chemical simulations without relying on classical reference calculations for such depths.
Researchers Simulate 21-Spin Molecule on Trapped Ion Computer

Could a quantum computer accurately predict the complex signature of a molecule previously beyond its reach? Now, using Quantinuum’s System Model H2 trapped-ion processor, scientists have simulated the liquid-state proton NMR spectrum of 1,2-di-tert-butyl-diphosphane at a two-qubit gate depth of 1442, reproducing spectral details between 3. 9 and 4.
A two-qubit gate depth of 1442 two-qubit gates has been achieved by simulating the liquid-state proton NMR spectrum of 1,2-di-tert-butyl-diphosphane using Quantinuum’s System Model H2 trapped-ion computer. Reproducing key spectroscopic features in this challenging molecule was previously unattainable on existing quantum hardware, but the reconstructed spectrum now agrees with classical reference calculations. This is currently the most accurate large-scale nuclear magnetic resonance simulation result obtained to date on a quantum computer. Quantum simulation mirroring how molecules interact with magnetic fields, the process…
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