This chapter lays the foundation for understanding molecular dynamics by introducing the fundamental concepts and principles that govern the behavior of atoms and molecules.

In this chapter, students will delve into the classical mechanics that govern the motion of atoms and molecules and learn about the various interatomic potentials.

This chapter focuses on the numerical integration of the equations of motion, a crucial aspect of molecular dynamics simulations.

In this chapter, students will investigate the principles of statistical mechanics and how they apply to molecular dynamics simulations.

This chapter delves into the various simulation techniques and algorithms employed in molecular dynamics.

In this capstone chapter, students will investigate the diverse applications of molecular dynamics across various scientific and technological domains.