Mitsuhisa Sato

Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

Large-Scale Hybrid Quantum-Classical Electronic Structure Calculations

This paper demonstrates a closed-loop workflow integrating a Heron quantum processor with the Fugaku supercomputer (152,064 nodes) for electronic structure calculations. This hybrid approach enables approximations of chemistry models beyond exact diagonalization, achieving accuracy comparable to classical approximation methods. The work highlights advancements in orchestrating computational resources at an unprecedented scale for current supercomputers.