Several computational techniques are commonly employed for material property prediction:
1. Quantum Mechanics: Methods like Density Functional Theory (DFT) are used to understand the electronic structure of materials at the atomic level. 2. Molecular Dynamics (MD): This technique simulates the physical movements of atoms and molecules to predict properties like thermal conductivity and mechanical strength. 3. Machine Learning (ML): Algorithms can be trained on existing data to predict properties of new materials with high accuracy.
