IonQ Advances Quantum Computing Applications, Modeling Atomic Forces for Carbon Capture and Material Design

Author: Benzinga Newsdesk | October 13, 2025 07:14am

IonQ (NYSE:IONQ), a leading quantum company, today announced a significant advancement in quantum chemistry simulations, demonstrating the accurate computation of atomic-level forces with the quantum-classical auxiliary-field quantum Monte Carlo (QC-AFQMC) algorithm. This demonstration – in collaboration with a top Global 1000 automotive manufacturer – proved more accurate than those derived using classical methods and marks a milestone in applying quantum computing to complex chemical systems.

Computational chemistry techniques are used to predict forces arising from the atomic interactions and can be used to determine chemical reactivity. The ability to simulate atomic forces with extreme precision is critical for modeling materials that absorb carbon more efficiently. Accurate force calculations are essential for modeling how molecules behave and react, which is foundational to everything from drug discovery to decarbonization. With results shown by IonQ's demonstration, quantum computing's role in solving real-world chemistry problems has made meaningful progress.

Unlike previous research which focused on isolated energy calculations, IonQ's implementation enabled the calculation of nuclear forces at critical points where big changes occur. These forces can be fed into classical computational chemistry workflows to trace reaction pathways, improving estimated rates of change within systems, and aiding in the design of more efficient carbon capture materials.

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