Several types of atomistic models are used in nanotechnology, including:
Molecular Dynamics (MD): This method involves simulating the motion of atoms over time by solving Newton's equations of motion. MD is useful for studying the dynamic behavior of materials and understanding how they respond to various stimuli. Density Functional Theory (DFT): A quantum mechanical modeling method used to investigate the electronic structure of materials. DFT is particularly valuable for studying the electronic properties and chemical reactivity of nanomaterials. Monte Carlo Simulations: These are stochastic methods that use random sampling to study the statistical properties of systems. They are often used in studying phase transitions and thermodynamic properties.
