Density Functional Theory (DFT): This quantum mechanical modeling method is used to investigate the electronic structure of molecules and the interactions between atoms.
Monte Carlo Simulations: These are used for statistical sampling and are effective in studying systems with a large number of interacting particles, such as polymers and complex fluids.
Finite Element Analysis (FEA): Used primarily for studying mechanical properties, FEA breaks down complex structures into smaller elements to calculate their behavior under various conditions.
