Multiscale simulations typically involve a hierarchical approach:
1. Atomistic Level: At the lowest scale, quantum mechanical methods like Density Functional Theory (DFT) are used to study the electronic structure of atoms and molecules. 2. Molecular Level: Molecular dynamics (MD) simulations model the interactions and movements of molecules based on classical mechanics. 3. Mesoscopic Level: Techniques like coarse-grained models and dissipative particle dynamics (DPD) are used to study larger assemblies of molecules. 4. Macroscopic Level: At the largest scale, continuum models describe the bulk properties of materials using approaches such as finite element analysis (FEA).
