Various advanced computational tools are employed in nanotechnology, each serving a unique purpose:
Molecular Dynamics (MD) simulations allow the study of the physical movements of atoms and molecules. Density Functional Theory (DFT) enables the investigation of the electronic structure of materials. Monte Carlo Simulations are used for statistical sampling in systems with a large number of interacting particles. Finite Element Analysis (FEA) helps in understanding the behavior of materials under various physical conditions.