Hybrid quantum workflow on IQM Emerald processor computes -3.52 kcal/mol binding energy for pyridine-phenol complex via QSCI in (10e,10o) space, matching CASCI but underbinding relative to CCSD(T) benchmark of -8.5 to -9.5 kcal/mol.
Size-consistent implementation of hamiltonian simulation- based quantum-selected configuration interaction method for the supramolecular approach,
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Additive binding energies in asphalt on a quantum processor via quantum-selected configuration interaction (QSCI)
Hybrid quantum workflow on IQM Emerald processor computes -3.52 kcal/mol binding energy for pyridine-phenol complex via QSCI in (10e,10o) space, matching CASCI but underbinding relative to CCSD(T) benchmark of -8.5 to -9.5 kcal/mol.