Several computational techniques are employed in theoretical nanotechnology, including: 1. Density Functional Theory (DFT): Used for calculating the electronic structure of atoms, molecules, and solids. 2. Molecular Dynamics (MD): Simulates the physical movements of atoms and molecules. 3. Monte Carlo Simulations: Utilized for statistical sampling to study thermodynamic properties. 4. Finite Element Analysis (FEA): Helps in the mechanical analysis of nanostructures.
