The data is generated using specialized software that applies mathematical models to replicate the behavior of nanomaterials. This involves:
Setting up initial conditions and parameters based on the material properties. Running the simulation for a defined period or until it reaches equilibrium. Collecting the output data, which could include energy states, molecular positions, stress-strain responses, etc.
The analysis of this data often requires sophisticated tools and techniques, such as data mining and machine learning, to derive meaningful insights.