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CAMBRIDGE, Mass. — In an important first for a promising new technology, scientists have used a quantum computer to calculate the precise energy of molecular hydrogen. This groundbreaking approach to molecular simulations could have profound implications not just for quantum chemistry, but also for a range of fields from cryptography to materials science.

“One of the most important problems for many theoretical chemists is how to execute exact simulations of chemical systems,” says author Alán Aspuru-Guzik, assistant professor of chemistry and chemical biology at Harvard University. “This is the first time that a quantum computer has been built to provide these precise calculations.”

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