In a groundbreaking achievement, IBM and Lockheed Martin researchers have successfully modeled methylene, a highly reactive molecule vital in combustion emissions, atmospheric chemistry, and interstellar processes. This feat was accomplished using a hybrid quantum-classical approach.
The team employed "sample-based quantum diagonalization" on IBM's 52-qubit quantum-centric supercomputing architecture. Methylene, symbolized as CH, presents modeling challenges due to its unpaired electrons and complex behaviors. The method allowed precise calculation of energy differences, dictating the molecule's reactivity.
The quantum computing results closely mirrored traditional computing methods, demonstrating the reliability of this approach for real chemistry problems. This breakthrough, achieved in the United States, holds immediate promise for industries reliant on chemical simulation.
Aerospace companies can now refine combustion process models and material degradation assessments. Chemical manufacturers gain advanced tools for catalyst design and reaction pathway prediction. Energy companies can improve understanding of combustion emissions and electron transfer in battery materials.
Methylene's significance stems from its role as a highly reactive intermediate in burning reactions. Successfully modeling its unpaired and paired electron states opens new avenues for molecular design and simulation across diverse industries.