Various computational methods are employed in nanotechnology simulations, including: - Molecular Dynamics (MD): Simulates the physical movements of atoms and molecules. - Density Functional Theory (DFT): Used to investigate the electronic structure of many-body systems. - Monte Carlo Simulations: Utilizes random sampling to study physical and mathematical systems. - Finite Element Analysis (FEA): Used for structural analysis of materials and devices. These methods are often combined to capture different aspects of nanoscale phenomena.