The main types of computer-based models used in nanotechnology include:
Molecular Dynamics (MD) Simulations: These models simulate the physical movements of atoms and molecules over time, providing insights into the dynamic behavior of nanomaterials. Density Functional Theory (DFT): This quantum mechanical modeling method is used to investigate the electronic structure of systems, especially those involving complex nanostructures. Monte Carlo Simulations: These statistical models use random sampling to understand the probabilistic behavior of systems at the nanoscale.
