Molecular Dynamics and Monte Carlo

This course provides students with solid theoretical and practical foundations to run simulations of biomolecules.

Highlights of the course include rerunning the published seminal work folding Trp-Cage and a ToyMD simulation engine where students can explore the MD code in easy to use python format and still run fast MD steps thanks to acceleration of the computation with numba.

The whole course is implemented as JupyterBook.