Several computational techniques are employed in predictive modeling, including:
Molecular Dynamics (MD) Simulations: These simulations model the physical movements of atoms and molecules over time. Density Functional Theory (DFT): A quantum mechanical method used to investigate the electronic structure of many-body systems. Monte Carlo Methods: Statistical techniques used to understand the impact of risk and uncertainty in predictive models. Machine Learning: Algorithms that can learn patterns from data and make predictions, increasingly used in nanotechnology for materials discovery.
