Uploaded December 2025 | Updated September 2026, 1 week ago
This talk presents a new version of sample based quantum diagonalization that incorporates solvent effects, allowing quantum computers to simulate molecules in realistic liquid environments. IBM and Cleveland Clinic integrated the polarizable continuum model into SQD, rebuilt the workflow using Qiskit, PySCF, and IBM Runtime, and showed accurate performance on increasingly large molecules. The method now runs through Qiskit function templates for easy access and full customization. The newest upgrade adds iterative resampling to boost accuracy, making this the most advanced SQD with implicit solvent to date.
This talk presents a new version of sample based quantum diagonalization that incorporates solvent effects, allowing quantum computers to simulate molecules in realistic liquid environments. IBM and Cleveland Clinic integrated the polarizable continuum model into SQD, rebuilt the workflow using Qiskit, PySCF, and IBM Runtime, and showed accurate performance on increasingly large molecules. The method now runs through Qiskit function templates for easy access and full customization. The newest upgrade adds iterative resampling to boost accuracy, making this the most advanced SQD with implicit solvent to date.
