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So far, the most promising version of the technology has used a class of compounds called amines that chemically bind with carbon dioxide.

Scientists are currently working on identifying the best amine compounds for the job, as even slight variations can have a great impact on the overall efficiency of the technology. Essentially, a slight difference can lead to or prevent the capture of billions of tons of additional carbon dioxide.

Now, in a paper published in the journal AVS Quantum Science, scientists from the National Energy Technology Laboratory and the University of Kentucky outlined how they tested an algorithm that can analyze amine reactions via quantum computing. They say their new algorithm can be used to rapidly determine the most efficient amine compounds for carbon capture.

We are not satisfied with the current amine molecules that we use for this [carbon capture] process, study author Qing Shao explained in a press statement. "We can try to find a new molecule to do it, but if we want to test it using classical computing resources, it will be a very expensive calculation. Our hope is to have a fast algorithm that can screen thousands of new molecules and structures."

The reason the algorithm would require a quantum computer as opposed to a classical computer is that a simulation of a chemical reaction must account for interactions between every pair of atoms involved. This means that even simple molecules such as the simple three-atom CO2 molecule reacting with the simplest of amines, ammonia, which has four atoms, can result in hundreds of atomic interactions.

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Quantum computing algorithm could help develop carbon capture method - Interesting Engineering