Several computational techniques are employed in in silico modelling, including:
- Molecular Dynamics (MD) Simulations: Used to study the physical movements of atoms and molecules. - Density Functional Theory (DFT): A quantum mechanical method used to investigate the electronic structure of materials. - Monte Carlo Simulations: Utilized to understand the thermodynamic properties of nanomaterials. - Finite Element Analysis (FEA): Applied to solve complex structural and material problems at the nanoscale.
