Sunday
Monday
Tuesday
Wednesday
Thursday
Friday
2016/5/8 2016/5/9 2016/5/10 2016/5/11 2016/5/12 2016/5/13
7.50 am
Welcome
8.00 am
Generalities
and historic of
DFT
D. Salahub
Auxiliary
Density
Perturbation
Theory
A. Koster
DFTB-II Ab
initio MD
simulations
J. Cuny
NMR with
DFT
B. Zuniga
TDDFT
M. Casida
Project
presentations
9.45 am
Break Break Break Break Break
10.15 am
Modern
methodologie
s for solving
the KS
equations
A. Koster
Ab initio MD
simulations
P. Calaminici
DFT/MM
approaches
T. Mineva
V. Ngo
Practical 4:
QM/MM
simulations
tutorials
T. Mineva
V. Ngo
Practical 5:
Calculation of
spectroscopic
properties
M. Casida
Tutorial
closure
12.00 pm
Lunch Lunch Lunch Lunch Lunch Lunch
2.00 pm
DFTB-I
M. Rapacioli
Practical 2:
First
calculations
with deMon2k
and deMon-
nano
Scientif
project
Session 2
Scientific
project -
Session 3
Scientific
project -
Session 4
3.45 pm
Break Break Break Break
4.15 pm
Practical 1:
Starting
Session
Scientific
project -
Session 1
Practical 3
VuChem
Scientific
project -
Session 5
5.00 pm
7.00 pm
Welcoming
party
Tutorial
dinner