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When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the ...
Quantum computers promise to speed calculations dramatically in some key areas such as computational chemistry and high-speed ... developing an algorithm specially designed to prepare data for a ...
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Crystallography-informed AI achieves high performance in predicting novel crystal structuresA research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm ... data. Next, they used a newly developed crystal ...
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