This course will introduce you to the basic theory of computer simulation of nanocomposite materials. Theoretical approaches offer tools for studying the relationships between the composition, structure and properties of nanocomposite materials. Simulation research methods include theoretical approaches to calculate the structure and physicochemical properties of nanocomposite materials, their components and processes at the interface using quantum chemical programs. Practicums give you the hands-on practice in the selection of components for directional modification of nanocomposite materials. You will explore the limits and applications of computational techniques.

By the end of this course, you will be able to:

1. Describe main simulation approaches for the study of nanocomposite materials;

2. Apply theoretical approaches to simulate the structure and properties of nanocomposite materials and their components;

3. Determine specific simulation methods and techniques depending on the purpose of the study of nanocomposite materials;

4. Analyze general correlations between the composition, structure and physio-chemical properties of nanocomposite materials