2013_14
Educational guide 
School of Chemical Engineering
A A 
english 
Chemical Engineering (2013)
 Subjects
  ADVANCED THERMODYNAMICS AND MOLECULAR SIMULATION
   Contents
Topic Sub-topic
1. Thermodynamic Postulates
2. Classical mechanics and quantum mechanics. Statistical Mechanics
3. The Monte Carlo technique. Importance sampling
Metropolis algorithm
Basic Monte Carlo algorithm
Trial moves
4. Monte Carlo simulation in different ensembles Microcanconical
Isothermal-isobaric
Grand canonical
4. Molecular dynamics Intergration of the equations of motion
Estimation of statistical information