IonQ (NYSE: IONQ), in collaboration with Hyundai Motor Company, has successfully demonstrated the accurate computation of atomic-level forces using the quantum-classical auxiliary-field quantum Monte Carlo (QC-AFQMC) algorithm. This demonstration represents a significant advancement in quantum chemistry simulations, with the results reportedly proving more accurate than those derived using purely classical methods.
The technical focus of this implementation was on calculating nuclear forces at critical points where significant chemical changes occur, moving beyond previous research that concentrated on isolated energy calculations. The QC-AFQMC hybrid method provides force calculations that can be integrated into classical computational chemistry workflows, such as molecular dynamics, to accurately trace reaction pathways and improve estimated rates of change within molecular systems.
The ability to simulate atomic forces with precision is critical for modeling materials for industrial R&D. The research is intended to enhance chemical simulations foundational to decarbonization technologies, such as materials designed for efficient carbon capture, and to support workflows used across pharmaceuticals and battery industries.
This advancement extends IonQ’s prior collaborations in computational chemistry, including previous projects with Hyundai on battery and object detection research. The company is positioning this work as a practical capability that can be integrated into existing industrial R&D processes, accelerating the deployment of quantum solutions into high-value sectors.
Read the full announcement here and review the technical paper detailing the QC-AFQMC framework here.
October 13, 2025
