Nov. 24, 2023, 8:39 a.m. | Mohammad Arshad


Potential energy surfaces (PESs) represent the relationship between the positions of atoms or molecules and their associated potential energy. PESs are essential in understanding molecular behavior, chemical reactions, and material properties. They describe how the potential energy of a system changes as the positions of its constituent atoms or molecules vary. These surfaces are often […]

The post This AI Paper Introduces a Groundbreaking Machine Learning Model for Efficient Hydrogen Combustion Prediction: Leveraging ‘Negative Design’ and Metadynamics in Reactive Chemistry …

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