Formal registration and course materials, start at 6:00pm

Time Table	Monday	Tuesday	Wednesday	Thursday	Friday
7h45min	Bus	Bus	Bus	Bus	Bus
8h30min	Class	Class	Class	Class	Class
10h30min	Coffee-break	Coffee-break	Coffee-break	Coffee-break	Coffee-break
11h	Class	Class	Class	Class	Class
12h30min	Lunch	Lunch	Lunch	Lunch	Lunch
14h	Class	Class	Class	Class	Class
16h	Coffee-break	Coffee-break	Coffee-break	Coffee-break	Coffee-break
16h30min - 18h	Class	Class	Class	Class	Class
18h15min	Bus	Bus	Bus	Bus	Bus

• Introduction to Statistical Thermodynamics
  Canonical, microcanonical and other ensembles; relation between partition function and Thermodynamics; semi-classic partition function; equations of state, fluctuations, and pair-correlation functions; examples.
• Introduction to Molecular Simulation
  Introduction to molecular interactions (configurational energy and interaction types, including short-range and long-range interactions). Useful force fields. Formulation; system size; molecular models, periodic boundary conditions.
• Introduction to Monte Carlo Method
  Basic formulation of function integration using Monte Carlo, Markovian chain. Important Sampling. The Metropolis Method. . Configurational bias methods.
• Integration Algorithms via Monte Carlo
  Monte Carlo Method in different ensembles; computational examples using the NVT, NPT, and µVT ensembles.
• Free Energy Calculation and Gibbs Ensemble
  The particle insertion and the multiple histogram methods for free energy calculations. Umbrella sampling. NVT and NPT Gibbs ensembles and expanded ensemble. Phase equilibria for pure substances and their mixtures.
• Computational Practice
  The examples will be implemented in a free software package. Several tutorials will be developed for a better diffusion of information.