1. Molecular Dynamics (MD): This technique simulates the physical movements of atoms and molecules by solving Newton's equations of motion. It's useful for studying the thermal, mechanical, and chemical properties of nanomaterials.
2. Density Functional Theory (DFT): DFT is used to investigate the electronic structure of materials. It helps in understanding the electronic, magnetic, and optical properties of nanoscale systems.
3. Monte Carlo Simulations: These are statistical methods used to model the probability of different outcomes. They are particularly useful for studying phase transitions and thermodynamic properties of nanomaterials.
4. Finite Element Analysis (FEA): FEA is a numerical method for solving complex structural, thermal, and electromagnetic problems. It is widely used in the design of nanodevices and nanostructures.
5. Quantum Mechanics/Molecular Mechanics (QM/MM): This hybrid technique combines quantum mechanical and classical mechanical models to study systems where quantum effects are significant, such as in [quantum dots]() and [molecular electronics]().
