Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...
A team led by Guoyin Yin at Wuhan University and the Shanghai Artificial Intelligence Laboratory recently proposed a modular machine learning ...
Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...
Simulated ORR activities of Pt(111) and Pt1Ni1@Pt(111) based on pH-dependent microkinetic modeling and validation of synthesized Pt1Ni1/C: Quantitative microkinetic model predicted that the Pt1Ni1@Pt ...
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