Date
|
Time
|
Room |
Topics
|
| Tue. 4/11/03 |
9.00-10.30 |
B |
Statement of the problem,
Hamiltonian Evolution, Liouville Theorem, Ergodicity, Partition Function, Time Average vs Ensemble Average. |
| Thu. 6/11/03 |
9.00-10.30 |
B |
Monte Carlo integration, Random Number Generators,
importance sampling, Sampling of simple distributions. HOMEWORK |
| Tue.11/11/03 |
9.00-10.30 |
B |
Properties of Markov Chains, Autocorrelation
times, error estimates, Metropolis-Rosenbluth-Rosenbluth-Teller-Teller (MR2T2) algorithm. |
| Thu.13/11/03 |
9.00-10.30 |
B |
Ising Model, Periodic Boundary Conditions, MF
solution, Monte Carlo study of the phase transition, Finite size effects. HOMEWORK |
| Tue.18/11/03 |
9.00-10.30 |
B |
Molecular Dynamics in the microcanonical ensable,
verlet, velocity-verlet, choosing the time step. |
| Thu.20/11/03 |
9.00-10.30 |
B |
Lennard-Jones Fluid. HOMEWORK |
| Tue.25/11/03 |
9.00-10.30 |
B |
Constant Pressure MD and MC. |
| Thu.27/11/03 |
9.00-10.30 |
B |
Constant Temperature Molecular Dynamics. HOMEWORK |
| Tue. 2/12/03 |
9.00-10.30 |
B |
Phase state equilibria, Thermodynamical Integration |
| Thu. 4/12/03 |
9.00-10.30 |
B |
Rare events, Transition State Theory
, Kinetic Monte Carlo |