multiscale modelling

What are the Scales Involved?

The scales involved in multiscale modelling in catalysis typically include:
Quantum Mechanics (QM): Describes the electronic structure of atoms and molecules.
Molecular Dynamics (MD): Simulates the motion of atoms and molecules over time.
Mesoscale: Bridges the gap between molecular and macroscopic scales, often using Kinetic Monte Carlo (KMC) methods.
Continuum Models: Describe macroscopic properties such as fluid dynamics and heat transfer.

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