Lecture

The lecture material guides you through the basics of molecular dynamics simulation. Each chapter builds upon the previous one to develop a complete understanding of the method.

Course Content

• Chapter 0 - General remarks and further reading
• Chapters 1-8 - Core lecture material covering MD theory and practice
• Appendices A1-A2 - Deep dives into specific advanced topics

Learning Objectives

By completing this course, you will: - Understand the theoretical foundations of molecular dynamics - Learn about interatomic potentials and force calculations - Master integration schemes for MD simulations - Implement parallel MD code using MPI - Perform and analyze molecular dynamics simulations

How to Use

Read the chapters sequentially for a complete understanding. The material is designed to accompany the Project assignments, where you will implement the concepts in code.

For additional resources and complementary information, see the Notes section.