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New computational approach predicts chemical reactions at high temperatures

December 01, 2021

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Engineers invent 'green' method that combines quantum mechanics with machine learning to accurately predict oxide reactions at high temperatures when no experimental data is available; could be used to design clean carbon-neutral processes for steel production and metal recycling.

from Top Technology News -- ScienceDaily https://ift.tt/2ZJ7O1Z

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New computational approach predicts chemical reactions at high temperatures

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