Compressing ADAPT-VQE circuits with approximate quantum compiling keeps noiseless proton-transfer barrier estimates within 13% of the CASCI reference, but noisy-device simulations with zero-noise extrapolation still miss the barrier by 50% or more.
Dual- function enzyme catalysis for enantioselective carbon– nitrogen bond formation.Nature Chemistry, 13(12): 1166–1172, 2021
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Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors
Compressing ADAPT-VQE circuits with approximate quantum compiling keeps noiseless proton-transfer barrier estimates within 13% of the CASCI reference, but noisy-device simulations with zero-noise extrapolation still miss the barrier by 50% or more.