IonQ Quantum Computing Achieves Greater Accuracy Simulating Complex Chemical Systems To Potentially Slow Climate Change

New advancement lays groundwork for quantum-enhanced modeling in carbon capture and molecular dynamics

COLLEGE PARK, Md.—Business Wire — 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 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.

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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.

“This research demonstrates a clear path for quantum computing to enhance chemical simulations that are foundational to decarbonization technologies,” said Niccolo de Masi, Chairman and CEO at IonQ. “Our work goes beyond academic benchmarks. It demonstrates a practical capability that can be integrated into molecular dynamics workflows used across pharmaceuticals, battery, and chemical industries.”

Building on IonQ’s prior collaborations in computational chemistry, this advancement extends IonQ’s work with the QC-AFQMC algorithm, one of the methods that IonQ believes will deliver commercial advantage in the coming years, while adding another use case that deepens the company’s expertise and expands its quantum chemistry portfolio.

About IonQ

IonQ, Inc. [NYSE: IONQ] is a leading quantum company delivering solutions to solve the world’s most complex problems. IonQ’s current generation quantum computers, IonQ Forte and IonQ Forte Enterprise, are the latest in a line of cutting-edge systems that have been helping customers and partners such as Amazon Web Services, AstraZeneca, and NVIDIA achieve 20x performance results.

The company is accelerating its technology roadmap and intends to deliver the world’s most powerful quantum computers with 2 million qubits by 2030 to accelerate innovation in drug discovery, materials science, financial modeling, logistics, cybersecurity, and defense. IonQ’s advancements in quantum networking and sensing also position the company as a leader in building the quantum internet.

The company’s innovative technology and rapid growth were recognized in Fortune Future 50, Newsweek’s 2025 Excellence Index 1000, Forbes’ 2025 Most Successful Mid-Cap Companies list, and Built In’s 2025 100 Best Midsize Places to Work in Washington DC and Seattle, respectively. Available through all major cloud providers, IonQ is making quantum computing more accessible and impactful than ever before. Learn more at IonQ.com.