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Generalized BEP Relationships for the Prediction of Activation Energies via Machine Learning
At the heart of computational catalyst design lies the construction of a suitable reaction network and the determination of reaction and activation energies for each step for a specific set of, for instance, metals. This technology aims to enable the creation of a sophisticated activation energy predictor / modeler that will enable the investigation...
Published: 4/23/2024
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Inventor(s): Florian Goeltl
Keywords(s):
Category(s): Technology Classifications > Engineering & Physical Sciences, Technology Classifications > Energy, Cleantech & Environmental > Petrochemical, Technology Classifications > Research Tools > Simulators and Modeling Tools
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