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New Computational Approach Predicts Chemical Reactions at High Temperatures

By Joanne Dawson posted 03-12-2021 11:22

  
New Computational Approach Predicts Chemical Reactions at High Temperatures.
A Columbia University engineering team have invented a method that combines quantum mechanics with machine learning to accurately predict oxide reactions at high temperatures when no experimental data is available; that could be used to design clean carbon-neutral processes for steel production and metal recycling.
The research was published in Nature Communications.
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