Tutorials

All tutorials are available as Jupyter notebooks and can be found in doc/tutorials/ in the source code and on GitHub.

Introductory tutorials

• Simulate a simple Lennard-Jones liquid
  Modelling of a single-component and a two-component Lennard-Jones liquid.
  Guide
• Error analysis
  Statistical analysis of simulation results
  Guide Part 1 | Part 2
• Visualization
  Using the online visualizers of ESPResSo.
  Guide

Intermediate tutorials

• Charged systems
  Modelling of ion condensation around a charged rod.
  Guide
• Langevin dynamics
  Modelling of Brownian motion and measurement of diffusion coefficients.
  Guide
• Ferrofluid
  Modelling of a monolayer ferrofluid system.
  Guide Part 1 | Part 2 | Part 3
• Lattice-Boltzmann
  Simulations including hydrodynamic interactions using the Lattice-Boltzmann method.
  Guide Part 1 | Part 2 | Part 3
• Polymers
  Modelling polymers with hydrodynamic interactions.
  Guide
• Raspberry electrophoresis
  Extended objects in a Lattice-Boltzmann fluid, raspberry particles.
  Guide
• Machine-learned interatomic potential
  Atomistic simulations using the MACE-MP-0 model.
  Guide

Advanced tutorials

• Active matter
  Modelling of self-propelling particles.
  Guide
• Electrokinetics
  Modelling electrokinetics together with hydrodynamic interactions.
  Guide
• Electrodes
  Modelling electrodes and measuring differential capacitance with the ELC method.
  Part 1 | Part 2
• Constant pH method
  Modelling an acid dissociation curve using the constant pH method.
  Guide
• Widom particle insertion method
  Measuring the excess chemical potential of a salt solution using the Widom particle insertion method.
  Guide
• Grand-Canonical Monte Carlo Simulating a polyelectrolyte solution coupled to a reservoir of salt.
  Guide