Introduction to Molecular Modelling (materials and bio) and Molecular dynamics in HPC @GRNET

from Monday, 4 February 2019 (10:00) to Tuesday, 5 February 2019 (18:00)
GRNET headquarters (Common Room)

        : Sessions
    /     : Talks
        : Breaks
4 Feb 2019
5 Feb 2019
AM
10:00
Introduction to PRACE -Dr Aris Sotiropoulos (GRNET) (until 10:30) (Common Room)
10:30
Introduction to molecular simulation -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 11:30) (Common Room)
11:30
Coarse-grained and atomistic simulation strategies -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 12:30) (Common Room)
10:30
Hands on workshop on MD biomolecular simulations -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 12:00) (Common Room)
PM
12:30
Setup of simulation -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 13:30) (Common Room)
13:30 --- Break ---
14:30
Real world examples and post simulation analysis -Dr Dimitris Dellis (GRNET) Dr Zoe Cournia (Academy of Athens) (until 15:30) (Common Room)
15:30
Visualization -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 16:30) (Common Room)
16:30
Quantum Molecular Simulation, Consistency, evaluation of results and efficient use of resources -Dr Dimitris Dellis (GRNET) (until 17:30) (Common Room)
17:30
QA (until 18:00) (Common Room)
12:00 --- Coffe Break ---
12:15
Hands on workshop on MD biomolecular simulations -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 14:00) (Common Room)
14:00 --- Lunch Break ---
15:00
Hands on workshop on MD biomolecular simulations (until 17:00) (Common Room)
17:00
Q&A (until 18:00) (Common Room)