Computational Statistical Mechanics — Lectures and labs

Computational Statistical Mechanics: Monte Carlo, Molecular Dynamics, Machine Learning

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Material of the course (academic year 2026-27): lecture notes and slides, and the slides of the lab sessions, where we write, from scratch, simple C++ codes for Monte Carlo and Molecular Dynamics simulations.

Lectures

Lecture notes

Monte Carlo — part 1 (PDF, 13.1 MB)
Monte Carlo — part 2 (PDF, 12.5 MB)

Lecture notes (LaTeX)

Lecture notes (typeset) — work in progress: updated as the course goes on (PDF, 2.3 MB)

Slides

Introduction to the course (PDF, 5.1 MB)
Interaction potentials: from first principles to machine learning (PDF, 1.8 MB)

Downloads

📦 C++ examples (ZIP) 📦 Project classes (ZIP)

C++ examples: the examples shown in the labs so far (folder examples/).
Project classes: the classes of the project you are writing (project/; for now pvector.hpp and its test pvector.cpp).

Both archives grow as the labs go on.

Labs

Lab	Topic
Lab 1	Development environment (WSL 2), introduction to C++ (part I), a first vector class
Lab 2	Introduction to C++ (part II): `protected` members, function overloading; new constructor and operators for `pvector`
Lab 3	Introduction to C++ (part III): dynamic memory (`new`, `delete`), namespaces; `operator()` and friend functions for `pvector`