Molecular Dynamics with C++

High-Performance Computing Course

This website contains material for a class on molecular dynamics run by the Simulation group at the Department of Microsystems Engineering of the University of Freiburg.

We appreciate feedback should you find any issues with the material posted here.

Course Structure

• Lecture - Core theoretical and practical lectures covering molecular dynamics simulation fundamentals
• Project - Hands-on project with 9 milestones to implement an MPI-parallel molecular dynamics code
• Notes - Supplementary technical documentation on tools, debugging, and HPC practices

Quick Start

To get started with the course project, begin with Project > General Remarks to understand the requirements, then follow the project milestones. The lecture material can be studied in parallel.