Several computational methods are employed, each suitable for different scales and types of problems:
Density Functional Theory (DFT): Used for studying the electronic structure of atoms, molecules, and solids. Molecular Dynamics (MD): Used for simulating the physical movements of atoms and molecules over time. Monte Carlo Simulations: Used for statistical sampling and solving problems defined in probabilistic terms. Finite Element Analysis (FEA): Used for solving complex structural, thermal, and electromagnetic problems.
