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New approach improves accuracy of quantum chemistry simulations using machine learning

Pelican Press

By Pelican Press,
in World News

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A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials science studies. The effort to understand materials and chemical reactions eats up roughly a third of national lab supercomputer time in the U.S. The gold standard for accuracy is the quantum many…

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